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

C24H19FN10OS — CID 168886120

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

5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168886120) has the molecular formula C24H19FN10OS and a molecular weight of 514.55 g/mol. Its IUPAC name is 5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 168886120
• Molecular Formula: C24H19FN10OS
• Molecular Weight: 514.55 g/mol
• Exact Mass: 514.14
• IUPAC Name: 5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
• SMILES: N#Cc1cnc(C(=O)N[C@H]2CCC[C@@H](n3c(-c4ncccc4F)nc4cnc(-n5nccn5)cc43)C2)s1
• InChI: InChI=1S/C24H19FN10OS/c25-17-5-2-6-27-21(17)22-33-18-13-28-20(35-30-7-8-31-35)10-19(18)34(22)15-4-1-3-14(9-15)32-23(36)24-29-12-16(11-26)37-24/h2,5-8,10,12-15H,1,3-4,9H2,(H,32,36)/t14-,15+/m0/s1
• InChIKey: XVMMAEAFJIUUCI-LSDHHAIUSA-N
• XLogP: 3.45
• TPSA: 140.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.55
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168886120) is 5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is N#Cc1cnc(C(=O)N[C@H]2CCC[C@@H](n3c(-c4ncccc4F)nc4cnc(-n5nccn5)cc43)C2)s1.

What is the InChIKey of 5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?

The InChIKey is XVMMAEAFJIUUCI-LSDHHAIUSA-N. The full InChI is InChI=1S/C24H19FN10OS/c25-17-5-2-6-27-21(17)22-33-18-13-28-20(35-30-7-8-31-35)10-19(18)34(22)15-4-1-3-14(9-15)32-23(36)24-29-12-16(11-26)37-24/h2,5-8,10,12-15H,1,3-4,9H2,(H,32,36)/t14-,15+/m0/s1.

What are the key properties of 5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?

5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 514.55 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168886120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).