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

C19H25FN4O2 — CID 146243082

IUPAC1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one
SMILESCN1CCN(c2nc(CCCO)cn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C19H25FN4O2/c1-22-8-10-23(11-9-22)18-19(26)24(14-17(21-18)3-2-12-25)13-15-4-6-16(20)7-5-15/h4-7,14,25H,2-3,8-13H2,1H3
InChIKeyKGTFEGBBMPTPNG-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.11
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one (PubChem CID 146243082) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one
PubChem CID146243082
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one
SMILESCN1CCN(c2nc(CCCO)cn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C19H25FN4O2/c1-22-8-10-23(11-9-22)18-19(26)24(14-17(21-18)3-2-12-25)13-15-4-6-16(20)7-5-15/h4-7,14,25H,2-3,8-13H2,1H3
InChIKeyKGTFEGBBMPTPNG-UHFFFAOYSA-N
XLogP1.11
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-2-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4(3H)-one
CID 49813871
6-ethyl-2-(3-fluorophenyl)-3-[2-oxo-2-(piperidin-1-yl)ethyl]pyrimidin-4(3H)-one
CID 49813925
3-[2-(4-Acetylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one
CID 25884761
2-(4-fluorophenyl)-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4(3H)-one
CID 49815714
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)-6-methylpyrimidin-4(3H)-one
CID 49815721
5-[3-[(dimethylamino)methyl]phenyl]-1-ethyl-3-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 177662241
1-ethyl-3-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(2-propan-2-ylphenyl)pyrazin-2-one
CID 177662534
N-benzyl-4-ethyl-6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-oxopyrazine-2-carboxamide
CID 177662764
1-ethyl-5-(5-fluoro-2-methylphenyl)-3-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 177663260
1-ethyl-3-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-phenylpyrazin-2-one
CID 177664600
5-[4-[(dimethylamino)methyl]phenyl]-1-ethyl-3-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 177664724
1-ethyl-3-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(3-phenylphenyl)pyrazin-2-one
CID 177664743

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one (CID 146243082) is 1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one is CN1CCN(c2nc(CCCO)cn(Cc3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
The InChIKey is KGTFEGBBMPTPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-22-8-10-23(11-9-22)18-19(26)24(14-17(21-18)3-2-12-25)13-15-4-6-16(20)7-5-15/h4-7,14,25H,2-3,8-13H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one has a molecular weight of 360.43 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-one is sourced from PubChem (CID 146243082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).