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

C32H28FN3O5 — CID 167585639

IUPAC3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4c(C)n(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
InChIInChI=1S/C32H28FN3O5/c1-18-28(21-8-10-22(33)11-9-21)31(38)29(19(2)36(18)3)25(37)16-20-6-12-23(13-7-20)41-26-14-15-34-24-17-27(39-4)32(40-5)35-30(24)26/h6-15,17H,16H2,1-5H3
InChIKeyHTNYIZRGIIUJKA-UHFFFAOYSA-N
MW553.59 g/mol
LogP5.99
Rot. Bonds8

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

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one (PubChem CID 167585639) has the molecular formula C32H28FN3O5 and a molecular weight of 553.59 g/mol. Its IUPAC name is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one.

Molecular Properties

Compound Name3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one
PubChem CID167585639
Molecular FormulaC32H28FN3O5
Molecular Weight553.59 g/mol
Exact Mass553.20
IUPAC Name3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4c(C)n(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC
InChIInChI=1S/C32H28FN3O5/c1-18-28(21-8-10-22(33)11-9-21)31(38)29(19(2)36(18)3)25(37)16-20-6-12-23(13-7-20)41-26-14-15-34-24-17-27(39-4)32(40-5)35-30(24)26/h6-15,17H,16H2,1-5H3
InChIKeyHTNYIZRGIIUJKA-UHFFFAOYSA-N
XLogP5.99
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.59
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
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-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
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
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-[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
N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
CID 165373101
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one
CID 167680891

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one?
The IUPAC name of 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) is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one.
What is the SMILES notation for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one?
The canonical SMILES for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one is COc1cc2nccc(Oc3ccc(CC(=O)c4c(C)n(C)c(C)c(-c5ccc(F)cc5)c4=O)cc3)c2nc1OC.
What is the InChIKey of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one?
The InChIKey is HTNYIZRGIIUJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN3O5/c1-18-28(21-8-10-22(33)11-9-21)31(38)29(19(2)36(18)3)25(37)16-20-6-12-23(13-7-20)41-26-14-15-34-24-17-27(39-4)32(40-5)35-30(24)26/h6-15,17H,16H2,1-5H3.
What are the key properties of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one?
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one has a molecular weight of 553.59 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1,2,6-trimethylpyridin-4-one is sourced from PubChem (CID 167585639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).