1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione

C19H17FN2O4 — CID 7286781

IUPAC1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
SMILESCOc1ccc(-n2ccn(Cc3cccc(F)c3)c(=O)c2=O)cc1OC
InChIInChI=1S/C19H17FN2O4/c1-25-16-7-6-15(11-17(16)26-2)22-9-8-21(18(23)19(22)24)12-13-4-3-5-14(20)10-13/h3-11H,12H2,1-2H3
InChIKeyJUIRTXZSKJOEOF-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.20
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione

1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione (PubChem CID 7286781) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
PubChem CID7286781
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
SMILESCOc1ccc(-n2ccn(Cc3cccc(F)c3)c(=O)c2=O)cc1OC
InChIInChI=1S/C19H17FN2O4/c1-25-16-7-6-15(11-17(16)26-2)22-9-8-21(18(23)19(22)24)12-13-4-3-5-14(20)10-13/h3-11H,12H2,1-2H3
InChIKeyJUIRTXZSKJOEOF-UHFFFAOYSA-N
XLogP2.20
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520485
1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione
CID 22520455
1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile
CID 22050432
1-(3-ethylphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286786
1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
CID 7286783
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
CID 95917526
1-butyl-4-(3-fluoro-4-methoxyphenyl)pyrazine-2,3-dione
CID 172906443
1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)pyrazine-2,3-dione
CID 22520380
1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione
CID 22520496
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 7286758
1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione
CID 163349855
2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22520493

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione (CID 7286781) is 1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione is COc1ccc(-n2ccn(Cc3cccc(F)c3)c(=O)c2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione?
The InChIKey is JUIRTXZSKJOEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-25-16-7-6-15(11-17(16)26-2)22-9-8-21(18(23)19(22)24)12-13-4-3-5-14(20)10-13/h3-11H,12H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione?
1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione has a molecular weight of 356.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 7286781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).