2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide

C27H26F10N6O3 — CID 88864198

About 2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide

2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 88864198) has the molecular formula C27H26F10N6O3 and a molecular weight of 672.52 g/mol. Its IUPAC name is 2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 88864198
• Molecular Formula: C27H26F10N6O3
• Molecular Weight: 672.52 g/mol
• Exact Mass: 672.19
• IUPAC Name: 2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: Cn1c(Nc2cc(CNC(=O)C(F)F)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21
• InChI: InChI=1S/C27H26F10N6O3/c1-43-21-18(41-25(43)40-17-8-12(10-38-23(45)20(30)31)2-7-16(17)27(35,36)37)9-15(24(42-21)46-11-19(28)29)22(44)39-14-5-3-13(4-6-14)26(32,33)34/h2,7-9,13-14,19-20H,3-6,10-11H2,1H3,(H,38,45)(H,39,44)(H,40,41)
• InChIKey: KIYPVWAEIFRTCK-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 110.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.52
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 88864198) is 2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

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

The canonical SMILES for 2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1c(Nc2cc(CNC(=O)C(F)F)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21.

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

The InChIKey is KIYPVWAEIFRTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F10N6O3/c1-43-21-18(41-25(43)40-17-8-12(10-38-23(45)20(30)31)2-7-16(17)27(35,36)37)9-15(24(42-21)46-11-19(28)29)22(44)39-14-5-3-13(4-6-14)26(32,33)34/h2,7-9,13-14,19-20H,3-6,10-11H2,1H3,(H,38,45)(H,39,44)(H,40,41).

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

2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 672.52 g/mol, XLogP of 6.11, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[(2,2-difluoroacetyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 88864198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).