2-[[5-[(cyclopropanecarbonylamino)methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C29H29F8N5O3 — CID 158847867

About 2-[[5-[(cyclopropanecarbonylamino)methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-[[5-[(cyclopropanecarbonylamino)methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 158847867) has the molecular formula C29H29F8N5O3 and a molecular weight of 647.57 g/mol. Its IUPAC name is 2-[[5-[(cyclopropanecarbonylamino)methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[[5-[(cyclopropanecarbonylamino)methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 158847867
• Molecular Formula: C29H29F8N5O3
• Molecular Weight: 647.57 g/mol
• Exact Mass: 647.21
• IUPAC Name: 2-[[5-[(cyclopropanecarbonylamino)methyl]-2-(trifluoromethyl)phenyl]methyl]-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(Cc3cc(CNC(=O)C4CC4)ccc3C(F)(F)F)nc2nc1OCC(F)F
• InChI: InChI=1S/C29H29F8N5O3/c30-22(31)13-45-27-19(26(44)39-18-6-4-17(5-7-18)28(32,33)34)11-21-24(42-27)41-23(40-21)10-16-9-14(1-8-20(16)29(35,36)37)12-38-25(43)15-2-3-15/h1,8-9,11,15,17-18,22H,2-7,10,12-13H2,(H,38,43)(H,39,44)(H,40,41,42)
• InChIKey: IZBKQAZAEHJVBY-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.57
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[[5-[(cyclopropanecarbonylamino)methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 158847867) is 2-[[5-[(cyclopropanecarbonylamino)methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

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

The canonical SMILES for 2-[[5-[(cyclopropanecarbonylamino)methyl]-2-(trifluoromethyl)phenyl]methyl]-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(Cc3cc(CNC(=O)C4CC4)ccc3C(F)(F)F)nc2nc1OCC(F)F.

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

The InChIKey is IZBKQAZAEHJVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F8N5O3/c30-22(31)13-45-27-19(26(44)39-18-6-4-17(5-7-18)28(32,33)34)11-21-24(42-27)41-23(40-21)10-16-9-14(1-8-20(16)29(35,36)37)12-38-25(43)15-2-3-15/h1,8-9,11,15,17-18,22H,2-7,10,12-13H2,(H,38,43)(H,39,44)(H,40,41,42).

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

2-[[5-[(cyclopropanecarbonylamino)methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 647.57 g/mol, XLogP of 6.09, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[(cyclopropanecarbonylamino)methyl]-2-(trifluoromethyl)phenyl]methyl]-5-(2,2-difluoroethoxy)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 158847867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).