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

C27H22ClFN6OS — CID 168885874

IUPAC5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](n2c(-c3ccccc3F)nc3cnc(-c4cccnc4)cc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C27H22ClFN6OS/c28-24-15-32-27(37-24)26(36)33-17-6-3-7-18(11-17)35-23-12-21(16-5-4-10-30-13-16)31-14-22(23)34-25(35)19-8-1-2-9-20(19)29/h1-2,4-5,8-10,12-15,17-18H,3,6-7,11H2,(H,33,36)/t17-,18+/m0/s1
InChIKeyLTHRKWDFGAUILG-ZWKOTPCHSA-N
MW533.03 g/mol
LogP6.32
Rot. Bonds5

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

5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885874) has the molecular formula C27H22ClFN6OS and a molecular weight of 533.03 g/mol. Its IUPAC name is 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885874
Molecular FormulaC27H22ClFN6OS
Molecular Weight533.03 g/mol
Exact Mass532.12
IUPAC Name5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](n2c(-c3ccccc3F)nc3cnc(-c4cccnc4)cc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C27H22ClFN6OS/c28-24-15-32-27(37-24)26(36)33-17-6-3-7-18(11-17)35-23-12-21(16-5-4-10-30-13-16)31-14-22(23)34-25(35)19-8-1-2-9-20(19)29/h1-2,4-5,8-10,12-15,17-18H,3,6-7,11H2,(H,33,36)/t17-,18+/m0/s1
InChIKeyLTHRKWDFGAUILG-ZWKOTPCHSA-N
XLogP6.32
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.03
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[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-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885874) is 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is O=C(N[C@H]1CCC[C@@H](n2c(-c3ccccc3F)nc3cnc(-c4cccnc4)cc32)C1)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is LTHRKWDFGAUILG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C27H22ClFN6OS/c28-24-15-32-27(37-24)26(36)33-17-6-3-7-18(11-17)35-23-12-21(16-5-4-10-30-13-16)31-14-22(23)34-25(35)19-8-1-2-9-20(19)29/h1-2,4-5,8-10,12-15,17-18H,3,6-7,11H2,(H,33,36)/t17-,18+/m0/s1.
What are the key properties of 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 533.03 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).