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

C29H21F2N3O5 — CID 167629839

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

5-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 167629839) has the molecular formula C29H21F2N3O5 and a molecular weight of 529.50 g/mol. Its IUPAC name is 5-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 5-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1H-pyridin-4-one
• PubChem CID: 167629839
• Molecular Formula: C29H21F2N3O5
• Molecular Weight: 529.50 g/mol
• Exact Mass: 529.14
• IUPAC Name: 5-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1H-pyridin-4-one
• SMILES: COc1ccc2nccc(Oc3ccc(CC(=O)c4c[nH]c(CO)c(-c5ccc(F)cc5)c4=O)cc3F)c2n1
• InChI: InChI=1S/C29H21F2N3O5/c1-38-26-9-7-21-28(34-26)25(10-11-32-21)39-24-8-2-16(12-20(24)31)13-23(36)19-14-33-22(15-35)27(29(19)37)17-3-5-18(30)6-4-17/h2-12,14,35H,13,15H2,1H3,(H,33,37)
• InChIKey: NQBIITQOZXOBMM-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 114.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.50
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1H-pyridin-4-one (CID 167629839) is 5-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1H-pyridin-4-one.

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

The canonical SMILES for 5-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1H-pyridin-4-one is COc1ccc2nccc(Oc3ccc(CC(=O)c4c[nH]c(CO)c(-c5ccc(F)cc5)c4=O)cc3F)c2n1.

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

The InChIKey is NQBIITQOZXOBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F2N3O5/c1-38-26-9-7-21-28(34-26)25(10-11-32-21)39-24-8-2-16(12-20(24)31)13-23(36)19-14-33-22(15-35)27(29(19)37)17-3-5-18(30)6-4-17/h2-12,14,35H,13,15H2,1H3,(H,33,37).

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

5-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1H-pyridin-4-one has a molecular weight of 529.50 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 167629839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).