Home > Compound List > Compound details
 molecular structure
click picture or here to close

5-cyclopropanecarbonyl-1'-(1,3-thiazole-4-carbonyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]

ChemBase ID: 340269
Molecular Formular: C18H21N5O2S
Molecular Mass: 371.45664
Monoisotopic Mass: 371.14159594
SMILES and InChIs

SMILES:
C12(N(C(=O)C3CC3)CCc3c1nc[nH]3)CCN(C(=O)c1ncsc1)CC2
Canonical SMILES:
O=C(N1CCc2c(C31CCN(CC3)C(=O)c1cscn1)nc[nH]2)C1CC1
InChI:
InChI=1S/C18H21N5O2S/c24-16(12-1-2-12)23-6-3-13-15(20-10-19-13)18(23)4-7-22(8-5-18)17(25)14-9-26-11-21-14/h9-12H,1-8H2,(H,19,20)
InChIKey:
WCSURPNAINCRMD-UHFFFAOYSA-N

Cite this record

CBID:340269 http://www.chembase.cn/molecule-340269.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-cyclopropanecarbonyl-1'-(1,3-thiazole-4-carbonyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
IUPAC Traditional name
5-cyclopropanecarbonyl-1'-(1,3-thiazole-4-carbonyl)-6,7-dihydro-1H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
Synonyms
5-(cyclopropylcarbonyl)-1'-(1,3-thiazol-4-ylcarbonyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13849000 external link Add to cart
Data Source Data ID Price
ChemBridge
13849000 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.349971  H Acceptors
H Donor LogD (pH = 5.5) -0.4583656 
LogD (pH = 7.4) -0.015905937  Log P -0.0038116674 
Molar Refractivity 97.2702 cm3 Polarizability 36.723194 Å3
Polar Surface Area 82.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.32  LOG S -2.94 
Polar Surface Area 82.19 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle