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

C29H28F11N5O4 — CID 162248664

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

5-(2,2-difluoroethoxy)-3-methyl-2-[[5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 162248664) has the molecular formula C29H28F11N5O4 and a molecular weight of 719.55 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-3-methyl-2-[[5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(2,2-difluoroethoxy)-3-methyl-2-[[5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 162248664
• Molecular Formula: C29H28F11N5O4
• Molecular Weight: 719.55 g/mol
• Exact Mass: 719.20
• IUPAC Name: 5-(2,2-difluoroethoxy)-3-methyl-2-[[5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: Cn1c(Cc2cc(CNC(=O)C(O)C(F)(F)F)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21
• InChI: InChI=1S/C29H28F11N5O4/c1-45-21(9-14-8-13(2-7-18(14)28(35,36)37)11-41-25(48)22(46)29(38,39)40)43-19-10-17(26(44-23(19)45)49-12-20(30)31)24(47)42-16-5-3-15(4-6-16)27(32,33)34/h2,7-8,10,15-16,20,22,46H,3-6,9,11-12H2,1H3,(H,41,48)(H,42,47)
• InChIKey: ZXRMZZFUSVIWRT-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 118.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.55
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(2,2-difluoroethoxy)-3-methyl-2-[[5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 162248664) is 5-(2,2-difluoroethoxy)-3-methyl-2-[[5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

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

The canonical SMILES for 5-(2,2-difluoroethoxy)-3-methyl-2-[[5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1c(Cc2cc(CNC(=O)C(O)C(F)(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 5-(2,2-difluoroethoxy)-3-methyl-2-[[5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is ZXRMZZFUSVIWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F11N5O4/c1-45-21(9-14-8-13(2-7-18(14)28(35,36)37)11-41-25(48)22(46)29(38,39)40)43-19-10-17(26(44-23(19)45)49-12-20(30)31)24(47)42-16-5-3-15(4-6-16)27(32,33)34/h2,7-8,10,15-16,20,22,46H,3-6,9,11-12H2,1H3,(H,41,48)(H,42,47).

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

5-(2,2-difluoroethoxy)-3-methyl-2-[[5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 719.55 g/mol, XLogP of 5.61, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-difluoroethoxy)-3-methyl-2-[[5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 162248664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).