2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide

C28H27F2N7O4 — CID 156855093

About 2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide

2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 156855093) has the molecular formula C28H27F2N7O4 and a molecular weight of 563.57 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 156855093
• Molecular Formula: C28H27F2N7O4
• Molecular Weight: 563.57 g/mol
• Exact Mass: 563.21
• IUPAC Name: 2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccc(OC(F)F)cc2)n3CC)n1
• InChI: InChI=1S/C28H27F2N7O4/c1-4-36-16-31-27(35-36)34-23(38)20-15-21-22(32-24(20)40-3)33-25(37(21)5-2)28(39,17-9-7-6-8-10-17)18-11-13-19(14-12-18)41-26(29)30/h6-16,26,39H,4-5H2,1-3H3,(H,34,35,38)
• InChIKey: CSKRGLFADISSGF-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 129.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.57
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (CID 156855093) is 2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccc(OC(F)F)cc2)n3CC)n1.

What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is CSKRGLFADISSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N7O4/c1-4-36-16-31-27(35-36)34-23(38)20-15-21-22(32-24(20)40-3)33-25(37(21)5-2)28(39,17-9-7-6-8-10-17)18-11-13-19(14-12-18)41-26(29)30/h6-16,26,39H,4-5H2,1-3H3,(H,34,35,38).

What are the key properties of 2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?

2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 563.57 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(difluoromethoxy)phenyl]-hydroxy-phenylmethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 156855093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).