1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one

C19H17FN2O3S — CID 16823423

IUPAC1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one
SMILESCOc1ccc(-n2ccnc(SCc3ccc(F)cc3)c2=O)cc1OC
InChIInChI=1S/C19H17FN2O3S/c1-24-16-8-7-15(11-17(16)25-2)22-10-9-21-18(19(22)23)26-12-13-3-5-14(20)6-4-13/h3-11H,12H2,1-2H3
InChIKeyHGDQVYZEVXTBMA-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.68
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one

1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one (PubChem CID 16823423) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one
PubChem CID16823423
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one
SMILESCOc1ccc(-n2ccnc(SCc3ccc(F)cc3)c2=O)cc1OC
InChIInChI=1S/C19H17FN2O3S/c1-24-16-8-7-15(11-17(16)25-2)22-10-9-21-18(19(22)23)26-12-13-3-5-14(20)6-4-13/h3-11H,12H2,1-2H3
InChIKeyHGDQVYZEVXTBMA-UHFFFAOYSA-N
XLogP3.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one (CID 16823423) is 1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one is COc1ccc(-n2ccnc(SCc3ccc(F)cc3)c2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one?
The InChIKey is HGDQVYZEVXTBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-24-16-8-7-15(11-17(16)25-2)22-10-9-21-18(19(22)23)26-12-13-3-5-14(20)6-4-13/h3-11H,12H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one?
1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one has a molecular weight of 372.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one is sourced from PubChem (CID 16823423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).