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

C24H20ClFN8OS — CID 168885374

IUPAC5-chloro-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3ccccc3F)nc3cnc(-n4nccn4)cc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C24H20ClFN8OS/c25-20-13-28-24(36-20)23(35)31-14-4-3-5-15(10-14)33-19-11-21(34-29-8-9-30-34)27-12-18(19)32-22(33)16-6-1-2-7-17(16)26/h1-2,6-9,11-15H,3-5,10H2,(H,31,35)
InChIKeyFFDBSDLFRHFJFS-UHFFFAOYSA-N
MW523.00 g/mol
LogP4.84
Rot. Bonds5

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

5-chloro-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885374) has the molecular formula C24H20ClFN8OS and a molecular weight of 523.00 g/mol. Its IUPAC name is 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(triazol-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-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885374
Molecular FormulaC24H20ClFN8OS
Molecular Weight523.00 g/mol
Exact Mass522.12
IUPAC Name5-chloro-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3ccccc3F)nc3cnc(-n4nccn4)cc32)C1)c1ncc(Cl)s1
InChIInChI=1S/C24H20ClFN8OS/c25-20-13-28-24(36-20)23(35)31-14-4-3-5-15(10-14)33-19-11-21(34-29-8-9-30-34)27-12-18(19)32-22(33)16-6-1-2-7-17(16)26/h1-2,6-9,11-15H,3-5,10H2,(H,31,35)
InChIKeyFFDBSDLFRHFJFS-UHFFFAOYSA-N
XLogP4.84
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.00
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(triazol-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-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885374) is 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(triazol-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-(triazol-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-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is O=C(NC1CCCC(n2c(-c3ccccc3F)nc3cnc(-n4nccn4)cc32)C1)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is FFDBSDLFRHFJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN8OS/c25-20-13-28-24(36-20)23(35)31-14-4-3-5-15(10-14)33-19-11-21(34-29-8-9-30-34)27-12-18(19)32-22(33)16-6-1-2-7-17(16)26/h1-2,6-9,11-15H,3-5,10H2,(H,31,35).
What are the key properties of 5-chloro-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 523.00 g/mol, XLogP of 4.84, 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-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).