Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
Life Chemicals	F1957-0066

Database	Data ID
PubChem	30484464

M. W.

160.17262

CAS

Similarity

N/A

ID: 114002

1,2,3,4-tetrahydro-1,6-naphthyridine

$$$$ Data

M. F.

C8H10N2

Suppliers	Catalog Number
Life Chemicals	F1957-0068
Bide Pharmatech	BD52607
A&J Pharmtech	AJA-O23983

Database	Data ID
PubChem	12018703

M. W.

134.1784

CAS

13623-84-2

Similarity

N/A

ID: 114003

6-bromo-3-methyl-1,5-naphthyridin-2-amine

$$$$ Data

M. F.

C9H8BrN3

Suppliers	Catalog Number
Life Chemicals	F1957-0071

Database	Data ID
PubChem	33675795

M. W.

238.08392

CAS

Similarity

N/A

ID: 114004

1,5-naphthyridine-4-carboxylic acid

$$$$ Data

M. F.

C9H6N2O2

Suppliers	Catalog Number
Life Chemicals	F1957-0073

Database	Data ID
PubChem	12705287

M. W.

174.15614

CAS

79426-14-5

Similarity

N/A

ID: 114005

6-bromo-1,8-naphthyridine-3-carboxylic acid

$$$$ Data

M. F.

C9H5BrN2O2

Suppliers	Catalog Number
Life Chemicals	F1957-0074

Database	Data ID
PubChem	33675804

M. W.

253.0522

CAS

Similarity

N/A

ID: 114006

4-(azepan-1-yl)pyridine-2-carboxylic acid

$$$$ Data

M. F.

C12H16N2O2

Suppliers	Catalog Number
Life Chemicals	F1957-0075

Database	Data ID
PubChem	43142998

M. W.

220.26764

CAS

Similarity

N/A

ID: 114007

4-(1H-pyrazol-1-yl)pyridine-2-carboxylic acid

$$$$ Data

M. F.

C9H7N3O2

Suppliers	Catalog Number
Life Chemicals	F1957-0078
Enamine	EN300-80995

Database	Data ID
PubChem	43142902

M. W.

189.17078

CAS

Similarity

N/A

ID: 114008

4-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}pyridine-2-carboxylic acid

$$$$ Data

M. F.

C15H21N3O4

Suppliers	Catalog Number
Life Chemicals	F1957-0079

Database	Data ID
PubChem	52416205

M. W.

307.34494

CAS

Similarity

N/A

ID: 114009

1,8-naphthyridin-4-amine

$$$$ Data

M. F.

C8H7N3

Suppliers	Catalog Number
Life Chemicals	F1957-0080
A&J Pharmtech	AJA-O32636

Database	Data ID
PubChem	12422525

M. W.

145.16128

CAS

54569-30-1

Similarity

N/A

ID: 114010

1,8-naphthyridin-3-amine

$$$$ Data

M. F.

C8H7N3

Suppliers	Catalog Number
Life Chemicals	F1957-0081

Database	Data ID
PubChem	12300728

M. W.

145.16128

CAS

61323-19-1

Similarity

N/A

ID: 114011

1,8-naphthyridin-2-amine

$$$$ Data

M. F.

C8H7N3

Suppliers	Catalog Number
Life Chemicals	F1957-0082
Bide Pharmatech	BD55199
A&J Pharmtech	AJA-O40457

Database	Data ID
PubChem	4173048

M. W.

145.16128

CAS

15992-83-3

Similarity

N/A

ID: 114012

1,8-naphthyridine-3,6-diamine

$$$$ Data

M. F.

C8H8N4

Suppliers	Catalog Number
Life Chemicals	F1957-0083

Database	Data ID
PubChem	45496215

M. W.

160.17592

CAS

Similarity

N/A

ID: 114013

3-bromo-1,8-naphthyridin-4-amine

$$$$ Data

M. F.

C8H6BrN3

Suppliers	Catalog Number
Life Chemicals	F1957-0084

Database	Data ID
PubChem	12543209

M. W.

224.05734

CAS

Similarity

N/A

ID: 114014

2-chloro-3-methyl-1,5-naphthyridine

$$$$ Data

M. F.

C9H7ClN2

Suppliers	Catalog Number
Life Chemicals	F1957-0085

Database	Data ID
PubChem	43841806

M. W.

178.61828

CAS

Similarity

N/A

ID: 114015

2-bromo-3-methyl-1,5-naphthyridine

$$$$ Data

M. F.

C9H7BrN2

Suppliers	Catalog Number
Life Chemicals	F1957-0086

Database	Data ID
PubChem	45496216

M. W.

223.06928

CAS

Similarity

N/A

ID: 114016

1,2,3,4-tetrahydro-1,6-naphthyridin-8-amine

$$$$ Data

M. F.

C8H11N3

Suppliers	Catalog Number
Life Chemicals	F1957-0087

Database	Data ID
PubChem	45496217

M. W.

149.19304

CAS

Similarity

N/A

ID: 114017

5,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine

$$$$ Data

M. F.

C10H14N2

Suppliers	Catalog Number
Life Chemicals	F1957-0088

Database	Data ID
PubChem	12378181

M. W.

162.23156

CAS

65541-95-9

Similarity

N/A

ID: 114018

6-bromo-5,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine

$$$$ Data

M. F.

C10H13BrN2

Suppliers	Catalog Number
Life Chemicals	F1957-0089

Database	Data ID
PubChem	11264969

M. W.

241.12762

CAS

Similarity

N/A

ID: 114019

6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

$$$$ Data

M. F.

C9H11BrN2

Suppliers	Catalog Number
Life Chemicals	F1957-0090

Database	Data ID
PubChem	45496218

M. W.

227.10104

CAS

Similarity

N/A

ID: 114020

6-bromo-5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

$$$$ Data

M. F.

C9H11BrN2

Suppliers	Catalog Number
Life Chemicals	F1957-0091

Database	Data ID
PubChem	40152252

M. W.

227.10104

CAS

Similarity

N/A

ID: 114021

5-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

$$$$ Data

M. F.

C9H12N2

Suppliers	Catalog Number
Life Chemicals	F1957-0092

Database	Data ID
PubChem	20689312

M. W.

148.20498

CAS

1150617-48-3

Similarity

N/A

ID: 114022

6-methyl-1,7-naphthyridin-8-amine

$$$$ Data

M. F.

C9H9N3

Suppliers	Catalog Number
Life Chemicals	F1957-0093

Database	Data ID
PubChem	45496219

M. W.

159.18786

CAS

Similarity

N/A

ID: 114023

6-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

$$$$ Data

M. F.

C9H12N2

Suppliers	Catalog Number
Life Chemicals	F1957-0094

Database	Data ID
PubChem	45496220

M. W.

148.20498

CAS

Similarity

N/A

ID: 114024

5-hydroxy-6-iodopyridine-3-carboxylic acid

$$$$ Data

M. F.

C6H4INO3

Suppliers	Catalog Number
Life Chemicals	F1957-0095

Database	Data ID
PubChem	13515616

M. W.

265.00533

CAS

59288-39-0

Similarity

N/A

ID: 114025

6-bromo-2-(4-methylpiperazin-1-yl)pyridin-3-amine

$$$$ Data

M. F.

C10H15BrN4

Suppliers	Catalog Number
Life Chemicals	F1957-0098

Database	Data ID
PubChem	15833251

M. W.

271.1569

CAS

Similarity

N/A

ID: 114026

6-bromo-1,2,3,4-tetrahydro-1,5-naphthyridine

$$$$ Data

M. F.

C8H9BrN2

Suppliers	Catalog Number
Life Chemicals	F1957-0099

Database	Data ID
PubChem	46397585

M. W.

213.07446

CAS

Similarity

N/A

ID: 114027

5,6,7,8-tetrahydro-1,5-naphthyridine-2-carbonitrile

$$$$ Data

M. F.

C9H9N3

Suppliers	Catalog Number
Life Chemicals	F1957-0100

Database	Data ID
PubChem	46397587

M. W.

159.18786

CAS

Similarity

N/A

ID: 114028

5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxylic acid

$$$$ Data

M. F.

C9H10N2O2

Suppliers	Catalog Number
Life Chemicals	F1957-0101

Database	Data ID
PubChem	46397586

M. W.

178.1879

CAS

Similarity

N/A

ID: 114029

5,6,7,8-tetrahydro-1,8-naphthyridine-2-carboxylic acid

$$$$ Data

M. F.

C9H10N2O2

Suppliers	Catalog Number
Life Chemicals	F1957-0102
A&J Pharmtech	AJA-O30191

Database	Data ID
PubChem	51358533

M. W.

178.1879

CAS

885278-22-8

Similarity

N/A

ID: 114030

1,2,3,4-tetrahydro-1,6-naphthyridine-8-carboxylic acid

$$$$ Data

M. F.

C9H10N2O2

Suppliers	Catalog Number
Life Chemicals	F1957-0103

Database	Data ID
PubChem	46397583

M. W.

178.1879

CAS

Similarity

N/A

ID: 114031

1,2,3,4-tetrahydro-1,6-naphthyridine-8-carbonitrile

$$$$ Data

M. F.

C9H9N3

Suppliers	Catalog Number
Life Chemicals	F1957-0104

Database	Data ID
PubChem	12018705

M. W.

159.18786

CAS

Similarity

N/A

ID: 114032

7-bromopyrido[2,3-b]pyrazine-8-carbaldehyde

$$$$ Data

M. F.

C8H4BrN3O

Suppliers	Catalog Number
Life Chemicals	F1957-0105

Database	Data ID
PubChem	71299804

M. W.

238.04086

CAS

Similarity

N/A

ID: 114033

3-(5-amino-3-methyl-1H-pyrazol-1-yl)-1λ⁶-thiolane-1,1-dione

$$$$ Data More

M. F.

C8H13N3O2S

Suppliers	Catalog Number
ChemBridge	4017348
Life Chemicals	F1958-0022
InterBioScreen	BB_SC-6290

Database	Data ID
PubChem	2772275

M. W.

215.27272

CAS

27280-97-3

Similarity

N/A

ID: 114034

8-chloro-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

$$$$ Data More

M. F.

C8H4ClNO3

Suppliers	Catalog Number
Sigma Aldrich	691739
Life Chemicals	F1962-0261
InterBioScreen	BB_SC-9073

Database	Data ID
PubChem	517535

M. W.

197.57526

CAS

63497-60-9

Similarity

N/A

ID: 114035

methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate

$$$$ Data

M. F.

C10H17NO3

Suppliers	Catalog Number
Life Chemicals	F1963-0007

Database	Data ID
PubChem	44891440

M. W.

199.24688

CAS

Similarity

N/A

ID: 114036

2,3-dihydro-1,3-oxazole-2-thione

$$$$ Data

M. F.

C3H3NOS

Suppliers	Catalog Number
Life Chemicals	F1963-0009

Database	Data ID
PubChem	7059240

M. W.

101.12702

CAS

32091-51-3

Similarity

N/A

ID: 114037

2-(adamantane-1-carbonyl)-1-benzofuran-3-amine

$$$$ Data

M. F.

C19H21NO2

Suppliers	Catalog Number
Life Chemicals	F1964-0001

Database	Data ID
PubChem	7059241

M. W.

295.37554

CAS

Similarity

N/A

ID: 114038

2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine

$$$$ Data

M. F.

C14H13N3O

Suppliers	Catalog Number
Life Chemicals	F1967-0069

Database	Data ID
PubChem	1512225

M. W.

239.27252

CAS

Similarity

N/A

ID: 114039

2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine

$$$$ Data

M. F.

C14H13N3

Suppliers	Catalog Number
Life Chemicals	F1967-0071

Database	Data ID
PubChem	42881558

M. W.

223.27312

CAS

Similarity

N/A

ID: 114040

2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine

$$$$ Data

M. F.

C13H10FN3

Suppliers	Catalog Number
Life Chemicals	F1967-0076

Database	Data ID
PubChem	21235312

M. W.

227.2370032

CAS

Similarity

N/A

ID: 114041

2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-amine

$$$$ Data

M. F.

C12H9ClN4

Suppliers	Catalog Number
Life Chemicals	F1967-0080

Database	Data ID
PubChem	14913313

M. W.

244.67966

CAS

Similarity

N/A

ID: 114042

2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine

$$$$ Data

M. F.

C13H12N4O

Suppliers	Catalog Number
Life Chemicals	F1967-0081

Database	Data ID
PubChem	15179741

M. W.

240.26058

CAS

Similarity

N/A

ID: 114043

2-phenylimidazo[1,2-a]pyrimidin-3-amine

$$$$ Data

M. F.

C12H10N4

Suppliers	Catalog Number
Life Chemicals	F1967-0082

Database	Data ID
PubChem	16740829

M. W.

210.2346

CAS

Similarity

N/A

ID: 114044

2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-amine

$$$$ Data

M. F.

C12H9FN4

Suppliers	Catalog Number
Life Chemicals	F1967-0085

Database	Data ID
PubChem	52903484

M. W.

228.2250632

CAS

Similarity

N/A

ID: 114045

3-(3,4-difluorophenyl)-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C10H6F2N2O2

Suppliers	Catalog Number
Life Chemicals	F1967-0100

Database	Data ID
PubChem	3926085

M. W.

224.1636464

CAS

Similarity

N/A

ID: 114046

3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C13H14N2O5

Suppliers	Catalog Number
Life Chemicals	F1967-0101

Database	Data ID
PubChem	4209130

M. W.

278.26066

CAS

Similarity

N/A

ID: 114047

3-(3-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Life Chemicals	F1967-0104

Database	Data ID
PubChem	812170

M. W.

232.23528

CAS

Similarity

N/A

ID: 114048

3-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C12H10N2O4

Suppliers	Catalog Number
Life Chemicals	F1967-0105

Database	Data ID
PubChem	33675818

M. W.

246.2188

CAS

Similarity

N/A

ID: 114049

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C13H12N2O4

Suppliers	Catalog Number
Life Chemicals	F1967-0110

Database	Data ID
PubChem	33675821

M. W.

260.24538

CAS

Similarity

N/A

ID: 114050

3-(3,4-difluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C11H8F2N2O2

Suppliers	Catalog Number
Life Chemicals	F1967-0111

Database	Data ID
PubChem	24716939

M. W.

238.1902264

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified