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

C24H20ClFN8O2S — CID 168885336

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

5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885336) has the molecular formula C24H20ClFN8O2S and a molecular weight of 539.00 g/mol. Its IUPAC name is 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 168885336
• Molecular Formula: C24H20ClFN8O2S
• Molecular Weight: 539.00 g/mol
• Exact Mass: 538.11
• IUPAC Name: 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide
• SMILES: O=C(N[C@@H]1C[C@@H](O)C[C@H](n2c(-c3ccccc3F)nc3cnc(-n4nccn4)cc32)C1)c1ncc(Cl)s1
• InChI: InChI=1S/C24H20ClFN8O2S/c25-20-12-28-24(37-20)23(36)31-13-7-14(9-15(35)8-13)33-19-10-21(34-29-5-6-30-34)27-11-18(19)32-22(33)16-3-1-2-4-17(16)26/h1-6,10-15,35H,7-9H2,(H,31,36)/t13-,14+,15+/m0/s1
• InChIKey: HVUSXLKOBXDLHN-RRFJBIMHSA-N
• XLogP: 3.81
• TPSA: 123.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.00
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885336) is 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide.

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

The canonical SMILES for 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide is O=C(N[C@@H]1C[C@@H](O)C[C@H](n2c(-c3ccccc3F)nc3cnc(-n4nccn4)cc32)C1)c1ncc(Cl)s1.

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

The InChIKey is HVUSXLKOBXDLHN-RRFJBIMHSA-N. The full InChI is InChI=1S/C24H20ClFN8O2S/c25-20-12-28-24(37-20)23(36)31-13-7-14(9-15(35)8-13)33-19-10-21(34-29-5-6-30-34)27-11-18(19)32-22(33)16-3-1-2-4-17(16)26/h1-6,10-15,35H,7-9H2,(H,31,36)/t13-,14+,15+/m0/s1.

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

5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 539.00 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(1S,3R,5R)-3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).