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

C30H22F3N3O4 — CID 167659973

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

5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one (PubChem CID 167659973) has the molecular formula C30H22F3N3O4 and a molecular weight of 545.52 g/mol. Its IUPAC name is 5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one.

Molecular Properties

• Compound Name: 5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one
• PubChem CID: 167659973
• Molecular Formula: C30H22F3N3O4
• Molecular Weight: 545.52 g/mol
• Exact Mass: 545.16
• IUPAC Name: 5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one
• SMILES: COc1cnc2c(Oc3ccc(CC(=O)c4c(C)c(F)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
• InChI: InChI=1S/C30H22F3N3O4/c1-16-27(30(38)36(17(2)28(16)33)20-7-5-19(31)6-8-20)24(37)13-18-4-9-25(22(32)12-18)40-26-10-11-34-23-14-21(39-3)15-35-29(23)26/h4-12,14-15H,13H2,1-3H3
• InChIKey: RUSDJAHWVQGELH-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 83.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.52
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one (CID 167659973) is 5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one.

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

The canonical SMILES for 5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one is COc1cnc2c(Oc3ccc(CC(=O)c4c(C)c(F)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1.

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

The InChIKey is RUSDJAHWVQGELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F3N3O4/c1-16-27(30(38)36(17(2)28(16)33)20-7-5-19(31)6-8-20)24(37)13-18-4-9-25(22(32)12-18)40-26-10-11-34-23-14-21(39-3)15-35-29(23)26/h4-12,14-15H,13H2,1-3H3.

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

5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one has a molecular weight of 545.52 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 167659973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).