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

C32H25F2N3O4 — CID 167605635

IUPAC2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one
SMILESCOc1cnc2c(Oc3ccc(CC(=O)c4cn(C)c(C5CC5)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
InChIInChI=1S/C32H25F2N3O4/c1-37-17-23(32(39)29(31(37)20-4-5-20)19-6-8-21(33)9-7-19)26(38)14-18-3-10-27(24(34)13-18)41-28-11-12-35-25-15-22(40-2)16-36-30(25)28/h3,6-13,15-17,20H,4-5,14H2,1-2H3
InChIKeyKIMLXFMMGBEEDM-UHFFFAOYSA-N
MW553.57 g/mol
LogP6.38
Rot. Bonds8

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

2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one (PubChem CID 167605635) has the molecular formula C32H25F2N3O4 and a molecular weight of 553.57 g/mol. Its IUPAC name is 2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one
PubChem CID167605635
Molecular FormulaC32H25F2N3O4
Molecular Weight553.57 g/mol
Exact Mass553.18
IUPAC Name2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one
SMILESCOc1cnc2c(Oc3ccc(CC(=O)c4cn(C)c(C5CC5)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1
InChIInChI=1S/C32H25F2N3O4/c1-37-17-23(32(39)29(31(37)20-4-5-20)19-6-8-21(33)9-7-19)26(38)14-18-3-10-27(24(34)13-18)41-28-11-12-35-25-15-22(40-2)16-36-30(25)28/h3,6-13,15-17,20H,4-5,14H2,1-2H3
InChIKeyKIMLXFMMGBEEDM-UHFFFAOYSA-N
XLogP6.38
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.57
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-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

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
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
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
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
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
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-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
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
3-(4-fluorophenyl)-5-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one
CID 167619038
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one?
The IUPAC name of 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) is 2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one.
What is the SMILES notation for 2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one?
The canonical SMILES for 2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one is COc1cnc2c(Oc3ccc(CC(=O)c4cn(C)c(C5CC5)c(-c5ccc(F)cc5)c4=O)cc3F)ccnc2c1.
What is the InChIKey of 2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one?
The InChIKey is KIMLXFMMGBEEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F2N3O4/c1-37-17-23(32(39)29(31(37)20-4-5-20)19-6-8-21(33)9-7-19)26(38)14-18-3-10-27(24(34)13-18)41-28-11-12-35-25-15-22(40-2)16-36-30(25)28/h3,6-13,15-17,20H,4-5,14H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one?
2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one has a molecular weight of 553.57 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one is sourced from PubChem (CID 167605635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).