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

C31H25F2N3O5 — CID 167703742

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

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one (PubChem CID 167703742) has the molecular formula C31H25F2N3O5 and a molecular weight of 557.55 g/mol. Its IUPAC name is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one.

Molecular Properties

• Compound Name: 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one
• PubChem CID: 167703742
• Molecular Formula: C31H25F2N3O5
• Molecular Weight: 557.55 g/mol
• Exact Mass: 557.18
• IUPAC Name: 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one
• SMILES: COc1cc2nccc(Oc3ccc(CC(=O)c4c(C)c(C)cn(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C31H25F2N3O5/c1-17-16-36(21-8-6-20(32)7-9-21)31(38)28(18(17)2)24(37)14-19-5-10-25(22(33)13-19)41-26-11-12-34-23-15-27(39-3)30(40-4)35-29(23)26/h5-13,15-16H,14H2,1-4H3
• InChIKey: YUCNDLKYBALONO-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 92.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.55
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one (CID 167703742) is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one.

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

The canonical SMILES for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one is COc1cc2nccc(Oc3ccc(CC(=O)c4c(C)c(C)cn(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC.

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

The InChIKey is YUCNDLKYBALONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N3O5/c1-17-16-36(21-8-6-20(32)7-9-21)31(38)28(18(17)2)24(37)14-19-5-10-25(22(33)13-19)41-26-11-12-34-23-15-27(39-3)30(40-4)35-29(23)26/h5-13,15-16H,14H2,1-4H3.

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

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one has a molecular weight of 557.55 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 8 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]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one is sourced from PubChem (CID 167703742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).