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

C32H27F2N3O5 — CID 167632914

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

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 167632914) has the molecular formula C32H27F2N3O5 and a molecular weight of 571.58 g/mol. Its IUPAC name is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one
• PubChem CID: 167632914
• Molecular Formula: C32H27F2N3O5
• Molecular Weight: 571.58 g/mol
• Exact Mass: 571.19
• IUPAC Name: 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one
• SMILES: COc1cc2nccc(Oc3ccc(CC(=O)c4c(C)[nH]c(C)c(-c5ccc(F)c(C)c5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C32H27F2N3O5/c1-16-12-20(7-8-21(16)33)28-17(2)36-18(3)29(31(28)39)24(38)14-19-6-9-25(22(34)13-19)42-26-10-11-35-23-15-27(40-4)32(41-5)37-30(23)26/h6-13,15H,14H2,1-5H3,(H,36,39)
• InChIKey: OBHZCAAQEBQWSW-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 103.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.58
LogP ≤ 5	6.42
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]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one?

The IUPAC name of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one (CID 167632914) is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one.

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

The canonical SMILES for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one is COc1cc2nccc(Oc3ccc(CC(=O)c4c(C)[nH]c(C)c(-c5ccc(F)c(C)c5)c4=O)cc3F)c2nc1OC.

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

The InChIKey is OBHZCAAQEBQWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F2N3O5/c1-16-12-20(7-8-21(16)33)28-17(2)36-18(3)29(31(28)39)24(38)14-19-6-9-25(22(34)13-19)42-26-10-11-35-23-15-27(40-4)32(41-5)37-30(23)26/h6-13,15H,14H2,1-5H3,(H,36,39).

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

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 571.58 g/mol, XLogP of 6.42, 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]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 167632914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).