1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one

C18H23FN4O4S — CID 146243005

IUPAC1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one
SMILESCS(=O)(=O)N1CCN(c2nc(CCCO)cn(-c3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C18H23FN4O4S/c1-28(26,27)22-10-8-21(9-11-22)17-18(25)23(13-15(20-17)3-2-12-24)16-6-4-14(19)5-7-16/h4-7,13,24H,2-3,8-12H2,1H3
InChIKeyUIJDTPCECNRELW-UHFFFAOYSA-N
MW410.47 g/mol
LogP0.38
Rot. Bonds6

About 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one

1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one (PubChem CID 146243005) has the molecular formula C18H23FN4O4S and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one
PubChem CID146243005
Molecular FormulaC18H23FN4O4S
Molecular Weight410.47 g/mol
Exact Mass410.14
IUPAC Name1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one
SMILESCS(=O)(=O)N1CCN(c2nc(CCCO)cn(-c3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C18H23FN4O4S/c1-28(26,27)22-10-8-21(9-11-22)17-18(25)23(13-15(20-17)3-2-12-24)16-6-4-14(19)5-7-16/h4-7,13,24H,2-3,8-12H2,1H3
InChIKeyUIJDTPCECNRELW-UHFFFAOYSA-N
XLogP0.38
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(3-Ethoxy-3-oxopropyl)-4-(4-fluorophenyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146242933
3-[4-(4-Fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid
CID 146242961
3-[4-(4-Fluorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
CID 146242973
4-[4-(4-Fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243047
4-[4-(4-Fluorophenyl)-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243066
1-(4-Fluorophenyl)-5-(3-hydroxypropyl)-3-piperidin-1-ylpyrazin-2-one
CID 146243096
1-[(4-Fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one
CID 146243107
1-(4-Fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one
CID 146251809
1-(4-Fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one
CID 146251830
Tert-butyl 4-[4-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylate
CID 146251843
1-(4-Fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one
CID 146251973
1-(4-Fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one
CID 146252129

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one (CID 146243005) is 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one is CS(=O)(=O)N1CCN(c2nc(CCCO)cn(-c3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one?
The InChIKey is UIJDTPCECNRELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4S/c1-28(26,27)22-10-8-21(9-11-22)17-18(25)23(13-15(20-17)3-2-12-24)16-6-4-14(19)5-7-16/h4-7,13,24H,2-3,8-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one?
1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one has a molecular weight of 410.47 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one is sourced from PubChem (CID 146243005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).