2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

C25H26ClF6N5O2 — CID 162546256

About 2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 162546256) has the molecular formula C25H26ClF6N5O2 and a molecular weight of 577.96 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 162546256
• Molecular Formula: C25H26ClF6N5O2
• Molecular Weight: 577.96 g/mol
• Exact Mass: 577.17
• IUPAC Name: 2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CN(CC1CCC(C(F)(F)F)CC1)C(=O)c1cc2nc(Nc3c(F)cccc3Cl)n(C)c2nc1OCC(F)F
• InChI: InChI=1S/C25H26ClF6N5O2/c1-36(11-13-6-8-14(9-7-13)25(30,31)32)23(38)15-10-18-21(35-22(15)39-12-19(28)29)37(2)24(33-18)34-20-16(26)4-3-5-17(20)27/h3-5,10,13-14,19H,6-9,11-12H2,1-2H3,(H,33,34)
• InChIKey: MOSCMHFJRMSVIE-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.96
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 162546256) is 2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is CN(CC1CCC(C(F)(F)F)CC1)C(=O)c1cc2nc(Nc3c(F)cccc3Cl)n(C)c2nc1OCC(F)F.

What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is MOSCMHFJRMSVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF6N5O2/c1-36(11-13-6-8-14(9-7-13)25(30,31)32)23(38)15-10-18-21(35-22(15)39-12-19(28)29)37(2)24(33-18)34-20-16(26)4-3-5-17(20)27/h3-5,10,13-14,19H,6-9,11-12H2,1-2H3,(H,33,34).

What are the key properties of 2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?

2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 577.96 g/mol, XLogP of 6.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-6-fluoroanilino)-5-(2,2-difluoroethoxy)-N,3-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 162546256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).