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

C30H24FN3O5 — CID 167626959

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

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methyl-1H-pyridin-4-one (PubChem CID 167626959) has the molecular formula C30H24FN3O5 and a molecular weight of 525.54 g/mol. Its IUPAC name is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methyl-1H-pyridin-4-one
• PubChem CID: 167626959
• Molecular Formula: C30H24FN3O5
• Molecular Weight: 525.54 g/mol
• Exact Mass: 525.17
• IUPAC Name: 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methyl-1H-pyridin-4-one
• SMILES: COc1cc2nccc(Oc3ccc(CC(=O)c4c(C)[nH]cc(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
• InChI: InChI=1S/C30H24FN3O5/c1-17-27(29(36)22(16-33-17)19-6-8-20(31)9-7-19)24(35)14-18-4-10-21(11-5-18)39-25-12-13-32-23-15-26(37-2)30(38-3)34-28(23)25/h4-13,15-16H,14H2,1-3H3,(H,33,36)
• InChIKey: NFYFYUXBVSKGAW-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 103.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.54
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methyl-1H-pyridin-4-one (CID 167626959) is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methyl-1H-pyridin-4-one.

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

The canonical SMILES for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methyl-1H-pyridin-4-one is COc1cc2nccc(Oc3ccc(CC(=O)c4c(C)[nH]cc(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC.

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

The InChIKey is NFYFYUXBVSKGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN3O5/c1-17-27(29(36)22(16-33-17)19-6-8-20(31)9-7-19)24(35)14-18-4-10-21(11-5-18)39-25-12-13-32-23-15-26(37-2)30(38-3)34-28(23)25/h4-13,15-16H,14H2,1-3H3,(H,33,36).

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

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 525.54 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 167626959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).