6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide

C62H55ClF4N8O6 — CID 162120374

About 6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide

6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 162120374) has the molecular formula C62H55ClF4N8O6 and a molecular weight of 1119.62 g/mol. Its IUPAC name is 6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 162120374
• Molecular Formula: C62H55ClF4N8O6
• Molecular Weight: 1119.62 g/mol
• Exact Mass: 1118.39
• IUPAC Name: 6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(-n3cc(C(F)(F)F)cn3)cc2)oc2nc(-n3ccc(C)n3)c(-c3cccc(C(=O)CC(C)(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3cccc(C(=O)CC(C)(C)C)c3)cc12
• InChI: InChI=1S/C35H31F3N6O3.C27H24ClFN2O3/c1-20-13-14-43(42-20)31-26(22-7-6-8-23(15-22)28(45)17-34(2,3)4)16-27-29(32(46)39-5)30(47-33(27)41-31)21-9-11-25(12-10-21)44-19-24(18-40-44)35(36,37)38;1-27(2,3)14-21(32)17-7-5-6-16(12-17)19-13-20-22(25(33)30-4)23(34-26(20)31-24(19)28)15-8-10-18(29)11-9-15/h6-16,18-19H,17H2,1-5H3,(H,39,46);5-13H,14H2,1-4H3,(H,30,33)
• InChIKey: ZHIFSWALQMNNJF-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 180.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1119.62
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide (CID 162120374) is 6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(-n3cc(C(F)(F)F)cn3)cc2)oc2nc(-n3ccc(C)n3)c(-c3cccc(C(=O)CC(C)(C)C)c3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(Cl)c(-c3cccc(C(=O)CC(C)(C)C)c3)cc12.

What is the InChIKey of 6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is ZHIFSWALQMNNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31F3N6O3.C27H24ClFN2O3/c1-20-13-14-43(42-20)31-26(22-7-6-8-23(15-22)28(45)17-34(2,3)4)16-27-29(32(46)39-5)30(47-33(27)41-31)21-9-11-25(12-10-21)44-19-24(18-40-44)35(36,37)38;1-27(2,3)14-21(32)17-7-5-6-16(12-17)19-13-20-22(25(33)30-4)23(34-26(20)31-24(19)28)15-8-10-18(29)11-9-15/h6-16,18-19H,17H2,1-5H3,(H,39,46);5-13H,14H2,1-4H3,(H,30,33).

What are the key properties of 6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide?

6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 1119.62 g/mol, XLogP of 14.77, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-[3-(3,3-dimethylbutanoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;5-[3-(3,3-dimethylbutanoyl)phenyl]-N-methyl-6-(3-methylpyrazol-1-yl)-2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 162120374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).