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

C18H23FN4O2 — CID 146251830

IUPAC1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one
SMILESCN1CCN(c2nc(CCCO)cn(-c3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C18H23FN4O2/c1-21-8-10-22(11-9-21)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
InChIKeyQORTZIIGKSHENJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.05
Rot. Bonds5

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

1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one (PubChem CID 146251830) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one
PubChem CID146251830
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one
SMILESCN1CCN(c2nc(CCCO)cn(-c3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C18H23FN4O2/c1-21-8-10-22(11-9-21)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
InChIKeyQORTZIIGKSHENJ-UHFFFAOYSA-N
XLogP1.05
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)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

Related Compounds

3-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-6-propylpyrimidin-4(3H)-one
CID 45535033
1-Ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one
CID 50837376
3-(4-butyrylpiperazino)-1-ethyl-2(1H)-quinoxalinone
CID 50837390
3-(4-Propanoylpiperazin-1-YL)-1-propyl-1,2-dihydroquinoxalin-2-one
CID 53131520
3-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-6-isopropylpyrimidin-4(3H)-one
CID 45535198
2-[4-(4-Fluorophenyl)piperazin-1-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 56787707
3-[4-(2,3-Difluorophenyl)-1,4-diazepan-1-yl]-1-methylpyrazin-2-one
CID 126821665
2-[3-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]-N-phenylacetamide
CID 177665582
6-[4-(4-Fluorophenyl)piperazin-1-yl]-3-(2-hydroxyethyl)-2-methyl-5-nitropyrimidin-4-one
CID 11987533
1-[4-(2-Fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)ethanone
CID 45769236
3-[4-(4-Acetylpiperazin-1-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one
CID 72948941
3-[3-Fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2,6-dimethylpyrimidin-4-one
CID 72948942

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one (CID 146251830) is 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one is CN1CCN(c2nc(CCCO)cn(-c3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
The InChIKey is QORTZIIGKSHENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-21-8-10-22(11-9-21)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-methylpiperazin-1-yl)pyrazin-2-one?
1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one has a molecular weight of 346.41 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one is sourced from PubChem (CID 146251830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).