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

C30H22F3N3O4 — CID 167550633

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

3-(2,4-difluorophenyl)-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 167550633) has the molecular formula C30H22F3N3O4 and a molecular weight of 545.52 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 3-(2,4-difluorophenyl)-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one
• PubChem CID: 167550633
• Molecular Formula: C30H22F3N3O4
• Molecular Weight: 545.52 g/mol
• Exact Mass: 545.16
• IUPAC Name: 3-(2,4-difluorophenyl)-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one
• SMILES: COc1cnc2c(Oc3ccc(CC(=O)c4c(C)[nH]c(C)c(-c5ccc(F)cc5F)c4=O)cc3F)ccnc2c1
• InChI: InChI=1S/C30H22F3N3O4/c1-15-27(20-6-5-18(31)12-21(20)32)30(38)28(16(2)36-15)24(37)11-17-4-7-25(22(33)10-17)40-26-8-9-34-23-13-19(39-3)14-35-29(23)26/h4-10,12-14H,11H2,1-3H3,(H,36,38)
• InChIKey: CIXHYJYAVNJLFE-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.52
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(2,4-difluorophenyl)-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one (CID 167550633) is 3-(2,4-difluorophenyl)-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one.

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

The canonical SMILES for 3-(2,4-difluorophenyl)-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one is COc1cnc2c(Oc3ccc(CC(=O)c4c(C)[nH]c(C)c(-c5ccc(F)cc5F)c4=O)cc3F)ccnc2c1.

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

The InChIKey is CIXHYJYAVNJLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F3N3O4/c1-15-27(20-6-5-18(31)12-21(20)32)30(38)28(16(2)36-15)24(37)11-17-4-7-25(22(33)10-17)40-26-8-9-34-23-13-19(39-3)14-35-29(23)26/h4-10,12-14H,11H2,1-3H3,(H,36,38).

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

3-(2,4-difluorophenyl)-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 545.52 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-difluorophenyl)-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 167550633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).