5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one

C31H25F2N3O4 — CID 167666444

IUPAC5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one
SMILESCOc1cnc2c(Oc3ccc(CC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)ccnc2c1
InChIInChI=1S/C31H25F2N3O4/c1-17-11-20(32)6-7-22(17)29-18(2)36(3)16-23(31(29)38)26(37)13-19-5-8-27(24(33)12-19)40-28-9-10-34-25-14-21(39-4)15-35-30(25)28/h5-12,14-16H,13H2,1-4H3
InChIKeySSFBWZSIZMESTA-UHFFFAOYSA-N
MW541.55 g/mol
LogP6.12
Rot. Bonds7

About 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one

5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one (PubChem CID 167666444) has the molecular formula C31H25F2N3O4 and a molecular weight of 541.55 g/mol. Its IUPAC name is 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one.

Molecular Properties

Compound Name5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one
PubChem CID167666444
Molecular FormulaC31H25F2N3O4
Molecular Weight541.55 g/mol
Exact Mass541.18
IUPAC Name5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one
SMILESCOc1cnc2c(Oc3ccc(CC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)ccnc2c1
InChIInChI=1S/C31H25F2N3O4/c1-17-11-20(32)6-7-22(17)29-18(2)36(3)16-23(31(29)38)26(37)13-19-5-8-27(24(33)12-19)40-28-9-10-34-25-14-21(39-4)15-35-30(25)28/h5-12,14-16H,13H2,1-4H3
InChIKeySSFBWZSIZMESTA-UHFFFAOYSA-N
XLogP6.12
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.55
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluoro-2-methylphenyl)-1,6-dimethylpyridazin-4-one
CID 167694041
5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1-methylpyridin-4-one
CID 167627281
2-chloro-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one
CID 167640769
2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one
CID 167605635
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
5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 167598406
5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one
CID 167620727
5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one
CID 167659973
4-(4-fluoro-2-methylphenyl)-6-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one
CID 167575247
5-(3,4-difluorophenyl)-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2-methyl-1H-pyridin-4-one
CID 167569712
5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one
CID 167641188
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one
CID 167532366

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one?
The IUPAC name of 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one (CID 167666444) is 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one.
What is the SMILES notation for 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one?
The canonical SMILES for 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one is COc1cnc2c(Oc3ccc(CC(=O)c4cn(C)c(C)c(-c5ccc(F)cc5C)c4=O)cc3F)ccnc2c1.
What is the InChIKey of 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one?
The InChIKey is SSFBWZSIZMESTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N3O4/c1-17-11-20(32)6-7-22(17)29-18(2)36(3)16-23(31(29)38)26(37)13-19-5-8-27(24(33)12-19)40-28-9-10-34-25-14-21(39-4)15-35-30(25)28/h5-12,14-16H,13H2,1-4H3.
What are the key properties of 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one?
5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one has a molecular weight of 541.55 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluoro-2-methylphenyl)-1,2-dimethylpyridin-4-one is sourced from PubChem (CID 167666444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).