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

C31H25F2N3O6 — CID 167680891

IUPAC3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Cc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1
InChIInChI=1S/C31H25F2N3O6/c1-4-41-25-12-14-36(20-8-6-19(32)7-9-20)31(38)28(25)23(37)16-18-5-10-24(21(33)15-18)42-26-11-13-34-22-17-27(39-2)30(40-3)35-29(22)26/h5-15,17H,4,16H2,1-3H3
InChIKeyVNGVUTPKUHQRRV-UHFFFAOYSA-N
MW573.55 g/mol
LogP5.69
Rot. Bonds10

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

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one (PubChem CID 167680891) has the molecular formula C31H25F2N3O6 and a molecular weight of 573.55 g/mol. Its IUPAC name is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one
PubChem CID167680891
Molecular FormulaC31H25F2N3O6
Molecular Weight573.55 g/mol
Exact Mass573.17
IUPAC Name3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Cc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1
InChIInChI=1S/C31H25F2N3O6/c1-4-41-25-12-14-36(20-8-6-19(32)7-9-20)31(38)28(25)23(37)16-18-5-10-24(21(33)15-18)42-26-11-13-34-22-17-27(39-2)30(40-3)35-29(22)26/h5-15,17H,4,16H2,1-3H3
InChIKeyVNGVUTPKUHQRRV-UHFFFAOYSA-N
XLogP5.69
TPSA101.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.55
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
CID 167621785
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 86288903
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
2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1-[6-(4-fluorophenyl)-5-methylpyrazin-2-yl]ethanone
CID 167668825
N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 165373132
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
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
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
4-ethoxy-N-[3-fluoro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 156759319
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)-6,7,8,9-tetrahydroquinolizin-2-one
CID 167532366

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 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) is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Cc1ccc(Oc2ccnc3cc(OC)c(OC)nc23)c(F)c1.
What is the InChIKey of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one?
The InChIKey is VNGVUTPKUHQRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N3O6/c1-4-41-25-12-14-36(20-8-6-19(32)7-9-20)31(38)28(25)23(37)16-18-5-10-24(21(33)15-18)42-26-11-13-34-22-17-27(39-2)30(40-3)35-29(22)26/h5-15,17H,4,16H2,1-3H3.
What are the key properties of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one?
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one has a molecular weight of 573.55 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 167680891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).