1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one

C19H26FN5OS — CID 146252129

IUPAC1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one
SMILESCNCCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCN(SC)CC2)n1
InChIInChI=1S/C19H26FN5OS/c1-21-9-3-4-16-14-25(17-7-5-15(20)6-8-17)19(26)18(22-16)23-10-12-24(27-2)13-11-23/h5-8,14,21H,3-4,9-13H2,1-2H3
InChIKeyCRXIOWJLQCFAHJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.92
Rot. Bonds7

About 1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one

1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one (PubChem CID 146252129) has the molecular formula C19H26FN5OS and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one
PubChem CID146252129
Molecular FormulaC19H26FN5OS
Molecular Weight391.52 g/mol
Exact Mass391.18
IUPAC Name1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one
SMILESCNCCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCN(SC)CC2)n1
InChIInChI=1S/C19H26FN5OS/c1-21-9-3-4-16-14-25(17-7-5-15(20)6-8-17)19(26)18(22-16)23-10-12-24(27-2)13-11-23/h5-8,14,21H,3-4,9-13H2,1-2H3
InChIKeyCRXIOWJLQCFAHJ-UHFFFAOYSA-N
XLogP1.92
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 9467018
3-(4-methylpiperazin-1-yl)quinoxalin-2(1H)-one
CID 12686479
N-ethyl-7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438475
N-ethyl-7-[(4-fluoro-N-propylanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 127046302
N-ethyl-7-[(4-fluoro-N-methylanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 127047930
N-(3-fluorophenyl)-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 9262541
N-[2-[[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]amino]ethyl]methanesulfonamide
CID 59451048
N-[2-({2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}thio)-4-hydroxy-6-oxo-1,6-dihydro-5-pyrimidinyl]acetamide
CID 2193181
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 4965145
N-(4-fluorophenyl)-2-[methyl-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
CID 135528108
"2-[4,5-dimethyl-6-oxo-2-piperidino-1(6H)-pyrimidinyl]-N-(3-fluorophenyl)acetamide"
CID 91913728
N-ethyl-7-[(4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 127047931

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one (CID 146252129) is 1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one is CNCCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCN(SC)CC2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one?
The InChIKey is CRXIOWJLQCFAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5OS/c1-21-9-3-4-16-14-25(17-7-5-15(20)6-8-17)19(26)18(22-16)23-10-12-24(27-2)13-11-23/h5-8,14,21H,3-4,9-13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one?
1-(4-fluorophenyl)-5-[3-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one has a molecular weight of 391.52 g/mol, XLogP of 1.92, 7 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-(methylamino)propyl]-3-(4-methylsulfanylpiperazin-1-yl)pyrazin-2-one is sourced from PubChem (CID 146252129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).