5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C26H23ClF3N5O2 — CID 146172782

About 5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 146172782) has the molecular formula C26H23ClF3N5O2 and a molecular weight of 529.95 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 146172782
• Molecular Formula: C26H23ClF3N5O2
• Molecular Weight: 529.95 g/mol
• Exact Mass: 529.15
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(Cn2c(=O)n(-c3ccccc3F)c3ncccc32)CC1)c1cc(Cl)cnc1C(F)F
• InChI: InChI=1S/C26H23ClF3N5O2/c27-16-12-18(22(23(29)30)32-13-16)25(36)33-17-9-7-15(8-10-17)14-34-21-6-3-11-31-24(21)35(26(34)37)20-5-2-1-4-19(20)28/h1-6,11-13,15,17,23H,7-10,14H2,(H,33,36)
• InChIKey: IVPPJAHTMOKENV-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.95
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 146172782) is 5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(Cn2c(=O)n(-c3ccccc3F)c3ncccc32)CC1)c1cc(Cl)cnc1C(F)F.

What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The InChIKey is IVPPJAHTMOKENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF3N5O2/c27-16-12-18(22(23(29)30)32-13-16)25(36)33-17-9-7-15(8-10-17)14-34-21-6-3-11-31-24(21)35(26(34)37)20-5-2-1-4-19(20)28/h1-6,11-13,15,17,23H,7-10,14H2,(H,33,36).

What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 529.95 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[4-[[3-(2-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 146172782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).