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

C30H24FN3O4 — CID 167575247

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

4-(4-fluoro-2-methylphenyl)-6-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one (PubChem CID 167575247) has the molecular formula C30H24FN3O4 and a molecular weight of 509.54 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-6-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one.

Molecular Properties

• Compound Name: 4-(4-fluoro-2-methylphenyl)-6-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one
• PubChem CID: 167575247
• Molecular Formula: C30H24FN3O4
• Molecular Weight: 509.54 g/mol
• Exact Mass: 509.18
• IUPAC Name: 4-(4-fluoro-2-methylphenyl)-6-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one
• SMILES: COc1cnc2c(Oc3ccc(CC(=O)C4=NCC(C)=C(c5ccc(F)cc5C)C4=O)cc3)ccnc2c1
• InChI: InChI=1S/C30H24FN3O4/c1-17-12-20(31)6-9-23(17)27-18(2)15-33-29(30(27)36)25(35)13-19-4-7-21(8-5-19)38-26-10-11-32-24-14-22(37-3)16-34-28(24)26/h4-12,14,16H,13,15H2,1-3H3
• InChIKey: GLBUYSUYMJPMGV-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 90.74 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.54
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(4-fluoro-2-methylphenyl)-6-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one (CID 167575247) is 4-(4-fluoro-2-methylphenyl)-6-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one.

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

The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-6-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one is COc1cnc2c(Oc3ccc(CC(=O)C4=NCC(C)=C(c5ccc(F)cc5C)C4=O)cc3)ccnc2c1.

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

The InChIKey is GLBUYSUYMJPMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN3O4/c1-17-12-20(31)6-9-23(17)27-18(2)15-33-29(30(27)36)25(35)13-19-4-7-21(8-5-19)38-26-10-11-32-24-14-22(37-3)16-34-28(24)26/h4-12,14,16H,13,15H2,1-3H3.

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

4-(4-fluoro-2-methylphenyl)-6-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one has a molecular weight of 509.54 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluoro-2-methylphenyl)-6-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one is sourced from PubChem (CID 167575247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).