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

C31H28ClF8N5O3S — CID 146739157

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

2-[[5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 146739157) has the molecular formula C31H28ClF8N5O3S and a molecular weight of 738.10 g/mol. Its IUPAC name is 2-[[5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[[5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 146739157
• Molecular Formula: C31H28ClF8N5O3S
• Molecular Weight: 738.10 g/mol
• Exact Mass: 737.15
• IUPAC Name: 2-[[5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: Cn1c(Cc2cc(CNC(=O)c3ccc(Cl)s3)ccc2C(F)(F)F)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc21
• InChI: InChI=1S/C31H28ClF8N5O3S/c1-45-25(11-16-10-15(2-7-20(16)31(38,39)40)13-41-28(47)22-8-9-23(32)49-22)43-21-12-19(29(44-26(21)45)48-14-24(33)34)27(46)42-18-5-3-17(4-6-18)30(35,36)37/h2,7-10,12,17-18,24H,3-6,11,13-14H2,1H3,(H,41,47)(H,42,46)
• InChIKey: RJZWPAWVUHDIRW-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.10
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[[5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 146739157) is 2-[[5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-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-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-[[5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1c(Cc2cc(CNC(=O)c3ccc(Cl)s3)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-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is RJZWPAWVUHDIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClF8N5O3S/c1-45-25(11-16-10-15(2-7-20(16)31(38,39)40)13-41-28(47)22-8-9-23(32)49-22)43-21-12-19(29(44-26(21)45)48-14-24(33)34)27(46)42-18-5-3-17(4-6-18)30(35,36)37/h2,7-10,12,17-18,24H,3-6,11,13-14H2,1H3,(H,41,47)(H,42,46).

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

2-[[5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 738.10 g/mol, XLogP of 7.72, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 146739157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).