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(diphenylmethyl)({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

ChemBase ID: 322756
Molecular Formular: C26H26N4O
Molecular Mass: 410.51084
Monoisotopic Mass: 410.21066147
SMILES and InChIs

SMILES:
c1(c(n2c(n1)cccc2)CNC(c1ccccc1)c1ccccc1)C(=O)N1CCCC1
Canonical SMILES:
O=C(c1nc2n(c1CNC(c1ccccc1)c1ccccc1)cccc2)N1CCCC1
InChI:
InChI=1S/C26H26N4O/c31-26(29-16-9-10-17-29)25-22(30-18-8-7-15-23(30)28-25)19-27-24(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-8,11-15,18,24,27H,9-10,16-17,19H2
InChIKey:
PSCBHLQLZBVPPR-UHFFFAOYSA-N

Cite this record

CBID:322756 http://www.chembase.cn/molecule-322756.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(diphenylmethyl)({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
IUPAC Traditional name
(diphenylmethyl)({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
Synonyms
(diphenylmethyl){[2-(1-pyrrolidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11336339 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.8030751  LogD (pH = 7.4) 3.4504085 
Log P 3.836253  Molar Refractivity 123.9981 cm3
Polarizability 47.176212 Å3 Polar Surface Area 49.64 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.52  LOG S -5.38 
Polar Surface Area 49.64 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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