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

C30H22BrF2N3O5 — CID 167621785

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

5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one (PubChem CID 167621785) has the molecular formula C30H22BrF2N3O5 and a molecular weight of 622.42 g/mol. Its IUPAC name is 5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one.

Molecular Properties

• Compound Name: 5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
• PubChem CID: 167621785
• Molecular Formula: C30H22BrF2N3O5
• Molecular Weight: 622.42 g/mol
• Exact Mass: 621.07
• IUPAC Name: 5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
• SMILES: COc1cc2nccc(Oc3ccc(CC(=O)c4cc(Br)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C30H22BrF2N3O5/c1-16-21(31)14-20(30(38)36(16)19-7-5-18(32)6-8-19)24(37)13-17-4-9-25(22(33)12-17)41-26-10-11-34-23-15-27(39-2)29(40-3)35-28(23)26/h4-12,14-15H,13H2,1-3H3
• InChIKey: MNTOPRWMISUJGS-UHFFFAOYSA-N
• XLogP: 6.36
• 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	622.42
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one (CID 167621785) is 5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one.

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

The canonical SMILES for 5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one is COc1cc2nccc(Oc3ccc(CC(=O)c4cc(Br)c(C)n(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC.

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

The InChIKey is MNTOPRWMISUJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BrF2N3O5/c1-16-21(31)14-20(30(38)36(16)19-7-5-18(32)6-8-19)24(37)13-17-4-9-25(22(33)12-17)41-26-10-11-34-23-15-27(39-2)29(40-3)35-28(23)26/h4-12,14-15H,13H2,1-3H3.

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

5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one has a molecular weight of 622.42 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one is sourced from PubChem (CID 167621785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).