3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one

C34H24F2N4O4 — CID 167631643

About 3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one

3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one (PubChem CID 167631643) has the molecular formula C34H24F2N4O4 and a molecular weight of 590.59 g/mol. Its IUPAC name is 3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one.

Molecular Properties

• Compound Name: 3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one
• PubChem CID: 167631643
• Molecular Formula: C34H24F2N4O4
• Molecular Weight: 590.59 g/mol
• Exact Mass: 590.18
• IUPAC Name: 3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one
• SMILES: COc1cc2nccc(Oc3ccc(CC(=O)c4cn(-c5ccccn5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1C
• InChI: InChI=1S/C34H24F2N4O4/c1-20-31(43-2)17-27-33(39-20)30(12-14-37-27)44-29-11-6-21(15-26(29)36)16-28(41)25-19-40(32-5-3-4-13-38-32)18-24(34(25)42)22-7-9-23(35)10-8-22/h3-15,17-19H,16H2,1-2H3
• InChIKey: NWSBQKGBWWXMSJ-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 96.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.59
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one?

The IUPAC name of 3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one (CID 167631643) is 3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one.

What is the SMILES notation for 3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one?

The canonical SMILES for 3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one is COc1cc2nccc(Oc3ccc(CC(=O)c4cn(-c5ccccn5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1C.

What is the InChIKey of 3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one?

The InChIKey is NWSBQKGBWWXMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24F2N4O4/c1-20-31(43-2)17-27-33(39-20)30(12-14-37-27)44-29-11-6-21(15-26(29)36)16-28(41)25-19-40(32-5-3-4-13-38-32)18-24(34(25)42)22-7-9-23(35)10-8-22/h3-15,17-19H,16H2,1-2H3.

What are the key properties of 3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one?

3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one has a molecular weight of 590.59 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one is sourced from PubChem (CID 167631643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).