2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C29H28F10N6O3 — CID 88565949

About 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 88565949) has the molecular formula C29H28F10N6O3 and a molecular weight of 698.56 g/mol. Its IUPAC name is 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 88565949
• Molecular Formula: C29H28F10N6O3
• Molecular Weight: 698.56 g/mol
• Exact Mass: 698.21
• IUPAC Name: 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: O=C(NC1CCC(C(F)(F)F)CC1)c1cc2[nH]c(Nc3cc(CNC(=O)C4CC(F)(F)C4)ccc3C(F)(F)F)nc2nc1OCC(F)F
• InChI: InChI=1S/C29H28F10N6O3/c30-21(31)12-48-25-17(24(47)41-16-4-2-15(3-5-16)28(34,35)36)8-20-22(44-25)45-26(43-20)42-19-7-13(1-6-18(19)29(37,38)39)11-40-23(46)14-9-27(32,33)10-14/h1,6-8,14-16,21H,2-5,9-12H2,(H,40,46)(H,41,47)(H2,42,43,44,45)
• InChIKey: APTCFPKATNHPDI-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 121.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.56
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 88565949) is 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is O=C(NC1CCC(C(F)(F)F)CC1)c1cc2[nH]c(Nc3cc(CNC(=O)C4CC(F)(F)C4)ccc3C(F)(F)F)nc2nc1OCC(F)F.

What is the InChIKey of 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is APTCFPKATNHPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F10N6O3/c30-21(31)12-48-25-17(24(47)41-16-4-2-15(3-5-16)28(34,35)36)8-20-22(44-25)45-26(43-20)42-19-7-13(1-6-18(19)29(37,38)39)11-40-23(46)14-9-27(32,33)10-14/h1,6-8,14-16,21H,2-5,9-12H2,(H,40,46)(H,41,47)(H2,42,43,44,45).

What are the key properties of 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 698.56 g/mol, XLogP of 6.88, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 88565949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).