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

C31H25F2N3O4 — CID 167638224

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

6-[2-[3-fluoro-4-[(6-methoxy-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one (PubChem CID 167638224) has the molecular formula C31H25F2N3O4 and a molecular weight of 541.55 g/mol. Its IUPAC name is 6-[2-[3-fluoro-4-[(6-methoxy-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one.

Molecular Properties

• Compound Name: 6-[2-[3-fluoro-4-[(6-methoxy-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one
• PubChem CID: 167638224
• Molecular Formula: C31H25F2N3O4
• Molecular Weight: 541.55 g/mol
• Exact Mass: 541.18
• IUPAC Name: 6-[2-[3-fluoro-4-[(6-methoxy-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one
• SMILES: COc1nc2c(Oc3ccc(CC(=O)C4=NCC(C)=C(c5ccc(F)cc5C)C4=O)cc3F)ccnc2cc1C
• InChI: InChI=1S/C31H25F2N3O4/c1-16-11-20(32)6-7-21(16)27-18(3)15-35-29(30(27)38)24(37)14-19-5-8-25(22(33)13-19)40-26-9-10-34-23-12-17(2)31(39-4)36-28(23)26/h5-13H,14-15H2,1-4H3
• InChIKey: OTZVQYDAHBRGRG-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 90.74 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.55
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[2-[3-fluoro-4-[(6-methoxy-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one (CID 167638224) is 6-[2-[3-fluoro-4-[(6-methoxy-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one.

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

The canonical SMILES for 6-[2-[3-fluoro-4-[(6-methoxy-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one is COc1nc2c(Oc3ccc(CC(=O)C4=NCC(C)=C(c5ccc(F)cc5C)C4=O)cc3F)ccnc2cc1C.

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

The InChIKey is OTZVQYDAHBRGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N3O4/c1-16-11-20(32)6-7-21(16)27-18(3)15-35-29(30(27)38)24(37)14-19-5-8-25(22(33)13-19)40-26-9-10-34-23-12-17(2)31(39-4)36-28(23)26/h5-13H,14-15H2,1-4H3.

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

6-[2-[3-fluoro-4-[(6-methoxy-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one has a molecular weight of 541.55 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[3-fluoro-4-[(6-methoxy-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one is sourced from PubChem (CID 167638224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).