1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide

C32H26F4N4O5 — CID 165373062

About 1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide

1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide (PubChem CID 165373062) has the molecular formula C32H26F4N4O5 and a molecular weight of 622.58 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide
• PubChem CID: 165373062
• Molecular Formula: C32H26F4N4O5
• Molecular Weight: 622.58 g/mol
• Exact Mass: 622.18
• IUPAC Name: 1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(CC(F)F)cc(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C32H26F4N4O5/c1-16-11-18(33)5-7-20(16)21-14-40(15-27(35)36)17(2)28(30(21)41)31(42)38-19-6-8-24(22(34)12-19)45-25-9-10-37-23-13-26(43-3)32(44-4)39-29(23)25/h5-14,27H,15H2,1-4H3,(H,38,42)
• InChIKey: KGBXYFKBQYMDBL-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 104.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.58
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide?

The IUPAC name of 1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide (CID 165373062) is 1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide?

The canonical SMILES for 1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(CC(F)F)cc(-c5ccc(F)cc5C)c4=O)cc3F)c2nc1OC.

What is the InChIKey of 1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide?

The InChIKey is KGBXYFKBQYMDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F4N4O5/c1-16-11-18(33)5-7-20(16)21-14-40(15-27(35)36)17(2)28(30(21)41)31(42)38-19-6-8-24(22(34)12-19)45-25-9-10-37-23-13-26(43-3)32(44-4)39-29(23)25/h5-14,27H,15H2,1-4H3,(H,38,42).

What are the key properties of 1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide?

1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 622.58 g/mol, XLogP of 6.68, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 165373062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).