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

C30H23F2N3O5 — CID 167627281

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

5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-methylpyridin-4-one (PubChem CID 167627281) has the molecular formula C30H23F2N3O5 and a molecular weight of 543.53 g/mol. Its IUPAC name is 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-methylpyridin-4-one.

Molecular Properties

• Compound Name: 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-methylpyridin-4-one
• PubChem CID: 167627281
• Molecular Formula: C30H23F2N3O5
• Molecular Weight: 543.53 g/mol
• Exact Mass: 543.16
• IUPAC Name: 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-methylpyridin-4-one
• SMILES: COc1cnc2c(Oc3ccc(CC(=O)c4cn(C)c(CO)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
• InChI: InChI=1S/C30H23F2N3O5/c1-35-15-21(30(38)28(24(35)16-36)18-4-6-19(31)7-5-18)25(37)12-17-3-8-26(22(32)11-17)40-27-9-10-33-23-13-20(39-2)14-34-29(23)27/h3-11,13-15,36H,12,16H2,1-2H3
• InChIKey: NHDWOYLCMYIUBY-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 103.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.53
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-methylpyridin-4-one (CID 167627281) is 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-methylpyridin-4-one.

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

The canonical SMILES for 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-methylpyridin-4-one is COc1cnc2c(Oc3ccc(CC(=O)c4cn(C)c(CO)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1.

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

The InChIKey is NHDWOYLCMYIUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N3O5/c1-35-15-21(30(38)28(24(35)16-36)18-4-6-19(31)7-5-18)25(37)12-17-3-8-26(22(32)11-17)40-27-9-10-33-23-13-20(39-2)14-34-29(23)27/h3-11,13-15,36H,12,16H2,1-2H3.

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

5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-methylpyridin-4-one has a molecular weight of 543.53 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-methylpyridin-4-one is sourced from PubChem (CID 167627281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).