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

C26H22Cl2F3N5O2 — CID 146172397

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

5-chloro-N-[4-[[1-(2-chloro-5-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 146172397) has the molecular formula C26H22Cl2F3N5O2 and a molecular weight of 564.40 g/mol. Its IUPAC name is 5-chloro-N-[4-[[1-(2-chloro-5-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-[[1-(2-chloro-5-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
• PubChem CID: 146172397
• Molecular Formula: C26H22Cl2F3N5O2
• Molecular Weight: 564.40 g/mol
• Exact Mass: 563.11
• IUPAC Name: 5-chloro-N-[4-[[1-(2-chloro-5-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(Cn2c(=O)n(-c3cc(F)ccc3Cl)c3ccncc32)CC1)c1cc(Cl)cnc1C(F)F
• InChI: InChI=1S/C26H22Cl2F3N5O2/c27-15-9-18(23(24(30)31)33-11-15)25(37)34-17-4-1-14(2-5-17)13-35-22-12-32-8-7-20(22)36(26(35)38)21-10-16(29)3-6-19(21)28/h3,6-12,14,17,24H,1-2,4-5,13H2,(H,34,37)
• InChIKey: JVYGOLIDAOAEAL-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.40
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[4-[[1-(2-chloro-5-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide (CID 146172397) is 5-chloro-N-[4-[[1-(2-chloro-5-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide.

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

The canonical SMILES for 5-chloro-N-[4-[[1-(2-chloro-5-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide is O=C(NC1CCC(Cn2c(=O)n(-c3cc(F)ccc3Cl)c3ccncc32)CC1)c1cc(Cl)cnc1C(F)F.

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

The InChIKey is JVYGOLIDAOAEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2F3N5O2/c27-15-9-18(23(24(30)31)33-11-15)25(37)34-17-4-1-14(2-5-17)13-35-22-12-32-8-7-20(22)36(26(35)38)21-10-16(29)3-6-19(21)28/h3,6-12,14,17,24H,1-2,4-5,13H2,(H,34,37).

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

5-chloro-N-[4-[[1-(2-chloro-5-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 564.40 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-[[1-(2-chloro-5-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146172397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).