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

C30H24FN3O4 — CID 167619038

IUPAC3-(4-fluorophenyl)-5-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCOc1cnc2c(Oc3ccc(CC(=O)c4c(C)[nH]c(C)c(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
InChIInChI=1S/C30H24FN3O4/c1-17-27(20-6-8-21(31)9-7-20)30(36)28(18(2)34-17)25(35)14-19-4-10-22(11-5-19)38-26-12-13-32-24-15-23(37-3)16-33-29(24)26/h4-13,15-16H,14H2,1-3H3,(H,34,36)
InChIKeyMECLXJAIGNPPMS-UHFFFAOYSA-N
MW509.54 g/mol
LogP5.97
Rot. Bonds7

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

3-(4-fluorophenyl)-5-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 167619038) has the molecular formula C30H24FN3O4 and a molecular weight of 509.54 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID167619038
Molecular FormulaC30H24FN3O4
Molecular Weight509.54 g/mol
Exact Mass509.18
IUPAC Name3-(4-fluorophenyl)-5-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCOc1cnc2c(Oc3ccc(CC(=O)c4c(C)[nH]c(C)c(-c5ccc(F)cc5)c4=O)cc3)ccnc2c1
InChIInChI=1S/C30H24FN3O4/c1-17-27(20-6-8-21(31)9-7-20)30(36)28(18(2)34-17)25(35)14-19-4-10-22(11-5-19)38-26-12-13-32-24-15-23(37-3)16-33-29(24)26/h4-13,15-16H,14H2,1-3H3,(H,34,36)
InChIKeyMECLXJAIGNPPMS-UHFFFAOYSA-N
XLogP5.97
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.54
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-(4-fluorophenyl)-4-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5,6-dimethylpyridazin-3-one
CID 167540893
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one
CID 167585639
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methyl-1H-pyridin-4-one
CID 167626959
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-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 167598406
N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 165373136
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-[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-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one
CID 167673807
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 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) is 3-(4-fluorophenyl)-5-[2-[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-(4-fluorophenyl)-5-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-[2-[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)cc5)c4=O)cc3)ccnc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is MECLXJAIGNPPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN3O4/c1-17-27(20-6-8-21(31)9-7-20)30(36)28(18(2)34-17)25(35)14-19-4-10-22(11-5-19)38-26-12-13-32-24-15-23(37-3)16-33-29(24)26/h4-13,15-16H,14H2,1-3H3,(H,34,36).
What are the key properties of 3-(4-fluorophenyl)-5-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one?
3-(4-fluorophenyl)-5-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 509.54 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[2-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 167619038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).