4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one

C31H23F2N3O3 — CID 167575103

IUPAC4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one
SMILESC=C(C)c1cnc2c(Oc3ccc(CC(=O)C4=NCC(C)=C(c5ccc(F)cc5)C4=O)cc3F)ccnc2c1
InChIInChI=1S/C31H23F2N3O3/c1-17(2)21-14-24-29(36-16-21)27(10-11-34-24)39-26-9-4-19(12-23(26)33)13-25(37)30-31(38)28(18(3)15-35-30)20-5-7-22(32)8-6-20/h4-12,14,16H,1,13,15H2,2-3H3
InChIKeyGKRUECBPRYXEBO-UHFFFAOYSA-N
MW523.54 g/mol
LogP6.34
Rot. Bonds7

About 4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one

4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one (PubChem CID 167575103) has the molecular formula C31H23F2N3O3 and a molecular weight of 523.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one
PubChem CID167575103
Molecular FormulaC31H23F2N3O3
Molecular Weight523.54 g/mol
Exact Mass523.17
IUPAC Name4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one
SMILESC=C(C)c1cnc2c(Oc3ccc(CC(=O)C4=NCC(C)=C(c5ccc(F)cc5)C4=O)cc3F)ccnc2c1
InChIInChI=1S/C31H23F2N3O3/c1-17(2)21-14-24-29(36-16-21)27(10-11-34-24)39-26-9-4-19(12-23(26)33)13-25(37)30-31(38)28(18(3)15-35-30)20-5-7-22(32)8-6-20/h4-12,14,16H,1,13,15H2,2-3H3
InChIKeyGKRUECBPRYXEBO-UHFFFAOYSA-N
XLogP6.34
TPSA81.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.54
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one?
The IUPAC name of 4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one (CID 167575103) is 4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one is C=C(C)c1cnc2c(Oc3ccc(CC(=O)C4=NCC(C)=C(c5ccc(F)cc5)C4=O)cc3F)ccnc2c1.
What is the InChIKey of 4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one?
The InChIKey is GKRUECBPRYXEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F2N3O3/c1-17(2)21-14-24-29(36-16-21)27(10-11-34-24)39-26-9-4-19(12-23(26)33)13-25(37)30-31(38)28(18(3)15-35-30)20-5-7-22(32)8-6-20/h4-12,14,16H,1,13,15H2,2-3H3.
What are the key properties of 4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one?
4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one has a molecular weight of 523.54 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-[2-[3-fluoro-4-[(7-prop-1-en-2-yl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-methyl-2H-pyridin-5-one is sourced from PubChem (CID 167575103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).