1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide

C31H24F4N4O4 — CID 165373234

About 1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide

1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide (PubChem CID 165373234) has the molecular formula C31H24F4N4O4 and a molecular weight of 592.55 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide
• PubChem CID: 165373234
• Molecular Formula: C31H24F4N4O4
• Molecular Weight: 592.55 g/mol
• Exact Mass: 592.17
• IUPAC Name: 1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide
• SMILES: COc1cnc2c(Oc3ccc(NC(=O)c4c(C)n(CC(F)F)cc(-c5ccc(F)c(C)c5)c4=O)cc3F)ccnc2c1
• InChI: InChI=1S/C31H24F4N4O4/c1-16-10-18(4-6-22(16)32)21-14-39(15-27(34)35)17(2)28(30(21)40)31(41)38-19-5-7-25(23(33)11-19)43-26-8-9-36-24-12-20(42-3)13-37-29(24)26/h4-14,27H,15H2,1-3H3,(H,38,41)
• InChIKey: FQZATLZBZMBPJL-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.55
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide?

The IUPAC name of 1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide (CID 165373234) is 1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide?

The canonical SMILES for 1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide is COc1cnc2c(Oc3ccc(NC(=O)c4c(C)n(CC(F)F)cc(-c5ccc(F)c(C)c5)c4=O)cc3F)ccnc2c1.

What is the InChIKey of 1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide?

The InChIKey is FQZATLZBZMBPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F4N4O4/c1-16-10-18(4-6-22(16)32)21-14-39(15-27(34)35)17(2)28(30(21)40)31(41)38-19-5-7-25(23(33)11-19)43-26-8-9-36-24-12-20(42-3)13-37-29(24)26/h4-14,27H,15H2,1-3H3,(H,38,41).

What are the key properties of 1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide?

1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 592.55 g/mol, XLogP of 6.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoroethyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-3-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 165373234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).