5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide

C25H22ClFN8OS — CID 168885395

IUPAC5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCc1cnn(-c2cc3c(cn2)nc(-c2ccccc2F)n3C2CCCC(NC(=O)c3ncc(Cl)s3)C2)n1
InChIInChI=1S/C25H22ClFN8OS/c1-14-11-30-35(33-14)22-10-20-19(12-28-22)32-23(17-7-2-3-8-18(17)27)34(20)16-6-4-5-15(9-16)31-24(36)25-29-13-21(26)37-25/h2-3,7-8,10-13,15-16H,4-6,9H2,1H3,(H,31,36)
InChIKeyGODCJAIDSDLMOS-UHFFFAOYSA-N
MW537.02 g/mol
LogP5.15
Rot. Bonds5

About 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide

5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885395) has the molecular formula C25H22ClFN8OS and a molecular weight of 537.02 g/mol. Its IUPAC name is 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885395
Molecular FormulaC25H22ClFN8OS
Molecular Weight537.02 g/mol
Exact Mass536.13
IUPAC Name5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCc1cnn(-c2cc3c(cn2)nc(-c2ccccc2F)n3C2CCCC(NC(=O)c3ncc(Cl)s3)C2)n1
InChIInChI=1S/C25H22ClFN8OS/c1-14-11-30-35(33-14)22-10-20-19(12-28-22)32-23(17-7-2-3-8-18(17)27)34(20)16-6-4-5-15(9-16)31-24(36)25-29-13-21(26)37-25/h2-3,7-8,10-13,15-16H,4-6,9H2,1H3,(H,31,36)
InChIKeyGODCJAIDSDLMOS-UHFFFAOYSA-N
XLogP5.15
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.02
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885395) is 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is Cc1cnn(-c2cc3c(cn2)nc(-c2ccccc2F)n3C2CCCC(NC(=O)c3ncc(Cl)s3)C2)n1.
What is the InChIKey of 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is GODCJAIDSDLMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN8OS/c1-14-11-30-35(33-14)22-10-20-19(12-28-22)32-23(17-7-2-3-8-18(17)27)34(20)16-6-4-5-15(9-16)31-24(36)25-29-13-21(26)37-25/h2-3,7-8,10-13,15-16H,4-6,9H2,1H3,(H,31,36).
What are the key properties of 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 537.02 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(4-methyltriazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).