1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one

C17H20FN3O3 — CID 146251809

IUPAC1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one
SMILESO=c1c(N2CCOCC2)nc(CCCO)cn1-c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O3/c18-13-3-5-15(6-4-13)21-12-14(2-1-9-22)19-16(17(21)23)20-7-10-24-11-8-20/h3-6,12,22H,1-2,7-11H2
InChIKeyGLWSAXPJZZUWBI-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.13
Rot. Bonds5

About 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one

1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one (PubChem CID 146251809) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one
PubChem CID146251809
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one
SMILESO=c1c(N2CCOCC2)nc(CCCO)cn1-c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O3/c18-13-3-5-15(6-4-13)21-12-14(2-1-9-22)19-16(17(21)23)20-7-10-24-11-8-20/h3-6,12,22H,1-2,7-11H2
InChIKeyGLWSAXPJZZUWBI-UHFFFAOYSA-N
XLogP1.13
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-Fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 651499
3-(4-fluorophenyl)-5-morpholin-4-yl-4H-imidazol-2-one
CID 11499918
3-(3-fluoro-4-morpholinophenyl)-2,6-dimethylpyrimidin-4(3H)-one
CID 72948204
6-fluoro-3-morpholin-4-yl-1H-quinoxalin-2-one
CID 146168907
1-[4-(2-Fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)ethanone
CID 45769236
3-[3-Fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2,6-dimethylpyrimidin-4-one
CID 72948942
3-(3-fluoro-4-(methyl(2-morpholinoethyl)amino)phenyl)-2,6-dimethylpyrimidin-4(3H)-one
CID 72949834
2-[Bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 141142943
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
Ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
CID 146242982
1-(4-Fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one
CID 146243005

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one (CID 146251809) is 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one is O=c1c(N2CCOCC2)nc(CCCO)cn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one?
The InChIKey is GLWSAXPJZZUWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c18-13-3-5-15(6-4-13)21-12-14(2-1-9-22)19-16(17(21)23)20-7-10-24-11-8-20/h3-6,12,22H,1-2,7-11H2.
What are the key properties of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one?
1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-morpholin-4-ylpyrazin-2-one has a molecular weight of 333.36 g/mol, XLogP of 1.13, 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-morpholin-4-ylpyrazin-2-one is sourced from PubChem (CID 146251809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).