2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

C31H19F6N3O2 — CID 59130581

About 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130581) has the molecular formula C31H19F6N3O2 and a molecular weight of 579.50 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
• PubChem CID: 59130581
• Molecular Formula: C31H19F6N3O2
• Molecular Weight: 579.50 g/mol
• Exact Mass: 579.14
• IUPAC Name: 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
• SMILES: Fc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)c(OCc2ccc(C(F)(F)F)o2)c1
• InChI: InChI=1S/C31H19F6N3O2/c32-20-8-10-22(27(14-20)41-17-21-9-11-28(42-21)31(35,36)37)19-6-4-18(5-7-19)15-40-13-12-25-26(16-40)39-30(38-25)23-2-1-3-24(33)29(23)34/h1-14,16H,15,17H2
• InChIKey: OORWOUINIITOHK-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 53.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.50
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?

The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130581) is 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?

The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is Fc1ccc(-c2ccc(Cn3ccc4nc(-c5cccc(F)c5F)nc-4c3)cc2)c(OCc2ccc(C(F)(F)F)o2)c1.

What is the InChIKey of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?

The InChIKey is OORWOUINIITOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19F6N3O2/c32-20-8-10-22(27(14-20)41-17-21-9-11-28(42-21)31(35,36)37)19-6-4-18(5-7-19)15-40-13-12-25-26(16-40)39-30(38-25)23-2-1-3-24(33)29(23)34/h1-14,16H,15,17H2.

What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine?

2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 579.50 g/mol, XLogP of 8.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-difluorophenyl)-5-[[4-[4-fluoro-2-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).