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

C28H29Cl2F5N6O3 — CID 88565930

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

2-[2,6-dichloro-3-[[(1-methylcyclopropanecarbonyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 88565930) has the molecular formula C28H29Cl2F5N6O3 and a molecular weight of 663.48 g/mol. Its IUPAC name is 2-[2,6-dichloro-3-[[(1-methylcyclopropanecarbonyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[2,6-dichloro-3-[[(1-methylcyclopropanecarbonyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 88565930
• Molecular Formula: C28H29Cl2F5N6O3
• Molecular Weight: 663.48 g/mol
• Exact Mass: 662.16
• IUPAC Name: 2-[2,6-dichloro-3-[[(1-methylcyclopropanecarbonyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CC1(C(=O)NCc2ccc(Cl)c(Nc3nc4nc(OCC(F)F)c(C(=O)NC5CCC(C(F)(F)F)CC5)cc4[nH]3)c2Cl)CC1
• InChI: InChI=1S/C28H29Cl2F5N6O3/c1-27(8-9-27)25(43)36-11-13-2-7-17(29)21(20(13)30)39-26-38-18-10-16(24(40-22(18)41-26)44-12-19(31)32)23(42)37-15-5-3-14(4-6-15)28(33,34)35/h2,7,10,14-15,19H,3-6,8-9,11-12H2,1H3,(H,36,43)(H,37,42)(H2,38,39,40,41)
• InChIKey: XNQTYJGQPYDXLO-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 121.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.48
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[2,6-dichloro-3-[[(1-methylcyclopropanecarbonyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 88565930) is 2-[2,6-dichloro-3-[[(1-methylcyclopropanecarbonyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

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

The canonical SMILES for 2-[2,6-dichloro-3-[[(1-methylcyclopropanecarbonyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is CC1(C(=O)NCc2ccc(Cl)c(Nc3nc4nc(OCC(F)F)c(C(=O)NC5CCC(C(F)(F)F)CC5)cc4[nH]3)c2Cl)CC1.

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

The InChIKey is XNQTYJGQPYDXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2F5N6O3/c1-27(8-9-27)25(43)36-11-13-2-7-17(29)21(20(13)30)39-26-38-18-10-16(24(40-22(18)41-26)44-12-19(31)32)23(42)37-15-5-3-14(4-6-15)28(33,34)35/h2,7,10,14-15,19H,3-6,8-9,11-12H2,1H3,(H,36,43)(H,37,42)(H2,38,39,40,41).

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

2-[2,6-dichloro-3-[[(1-methylcyclopropanecarbonyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 663.48 g/mol, XLogP of 6.92, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-dichloro-3-[[(1-methylcyclopropanecarbonyl)amino]methyl]anilino]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 88565930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).