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

C32H26F3N3O5 — CID 167546149

IUPAC1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4c(C)n(CC(F)F)cc(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
InChIInChI=1S/C32H26F3N3O5/c1-18-29(31(40)23(16-38(18)17-28(34)35)20-6-8-21(33)9-7-20)25(39)14-19-4-10-22(11-5-19)43-26-12-13-36-24-15-27(41-2)32(42-3)37-30(24)26/h4-13,15-16,28H,14,17H2,1-3H3
InChIKeyBUWFLHLYNQCXBQ-UHFFFAOYSA-N
MW589.57 g/mol
LogP6.41
Rot. Bonds10

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

1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one (PubChem CID 167546149) has the molecular formula C32H26F3N3O5 and a molecular weight of 589.57 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one
PubChem CID167546149
Molecular FormulaC32H26F3N3O5
Molecular Weight589.57 g/mol
Exact Mass589.18
IUPAC Name1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4c(C)n(CC(F)F)cc(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
InChIInChI=1S/C32H26F3N3O5/c1-18-29(31(40)23(16-38(18)17-28(34)35)20-6-8-21(33)9-7-20)25(39)14-19-4-10-22(11-5-19)43-26-12-13-36-24-15-27(41-2)32(42-3)37-30(24)26/h4-13,15-16,28H,14,17H2,1-3H3
InChIKeyBUWFLHLYNQCXBQ-UHFFFAOYSA-N
XLogP6.41
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.57
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one with MolForge

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Related Compounds

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
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
1-(difluoromethyl)-5-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-methylpyridin-4-one
CID 167578066
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-ethyl-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one
CID 167575888
1-(difluoromethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 167639336
5-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-methylpyrimidin-4-one
CID 167546817
1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide
CID 165373062
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one
CID 167699902
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one
CID 167703742
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
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one
CID 167632914
2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1-[6-(4-fluorophenyl)-5-methylpyrazin-2-yl]ethanone
CID 167668825

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one?
The IUPAC name of 1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one (CID 167546149) is 1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one is COc1cc2nccc(Oc3ccc(CC(=O)c4c(C)n(CC(F)F)cc(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one?
The InChIKey is BUWFLHLYNQCXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3N3O5/c1-18-29(31(40)23(16-38(18)17-28(34)35)20-6-8-21(33)9-7-20)25(39)14-19-4-10-22(11-5-19)43-26-12-13-36-24-15-27(41-2)32(42-3)37-30(24)26/h4-13,15-16,28H,14,17H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one?
1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one has a molecular weight of 589.57 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 167546149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).