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

C27H21ClF2N6OS — CID 168885401

IUPAC5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](n2c(-c3ccccc3F)nc3cnc(-c4ncccc4F)cc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C27H21ClF2N6OS/c28-23-14-33-27(38-23)26(37)34-15-5-3-6-16(11-15)36-22-12-20(24-19(30)9-4-10-31-24)32-13-21(22)35-25(36)17-7-1-2-8-18(17)29/h1-2,4,7-10,12-16H,3,5-6,11H2,(H,34,37)/t15-,16+/m0/s1
InChIKeyYPQPXAOCYDUVOR-JKSUJKDBSA-N
MW551.02 g/mol
LogP6.46
Rot. Bonds5

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

5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885401) has the molecular formula C27H21ClF2N6OS and a molecular weight of 551.02 g/mol. Its IUPAC name is 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)imidazo[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-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885401
Molecular FormulaC27H21ClF2N6OS
Molecular Weight551.02 g/mol
Exact Mass550.12
IUPAC Name5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](n2c(-c3ccccc3F)nc3cnc(-c4ncccc4F)cc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C27H21ClF2N6OS/c28-23-14-33-27(38-23)26(37)34-15-5-3-6-16(11-15)36-22-12-20(24-19(30)9-4-10-31-24)32-13-21(22)35-25(36)17-7-1-2-8-18(17)29/h1-2,4,7-10,12-16H,3,5-6,11H2,(H,34,37)/t15-,16+/m0/s1
InChIKeyYPQPXAOCYDUVOR-JKSUJKDBSA-N
XLogP6.46
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.02
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)imidazo[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-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885401) is 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)imidazo[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-(3-fluoro-2-pyridinyl)imidazo[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-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is O=C(N[C@H]1CCC[C@@H](n2c(-c3ccccc3F)nc3cnc(-c4ncccc4F)cc32)C1)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is YPQPXAOCYDUVOR-JKSUJKDBSA-N. The full InChI is InChI=1S/C27H21ClF2N6OS/c28-23-14-33-27(38-23)26(37)34-15-5-3-6-16(11-15)36-22-12-20(24-19(30)9-4-10-31-24)32-13-21(22)35-25(36)17-7-1-2-8-18(17)29/h1-2,4,7-10,12-16H,3,5-6,11H2,(H,34,37)/t15-,16+/m0/s1.
What are the key properties of 5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 551.02 g/mol, XLogP of 6.46, 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-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).