1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one

C17H18N6O — CID 133336819

IUPAC1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
SMILESCc1nc2ccccc2nc1N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C17H18N6O/c1-12-17(20-15-6-4-3-5-14(15)19-12)22-7-8-23(16(24)11-22)13-9-18-21(2)10-13/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyRKMTUJSTMQRXFI-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.52
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one

1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one (PubChem CID 133336819) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
PubChem CID133336819
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
SMILESCc1nc2ccccc2nc1N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C17H18N6O/c1-12-17(20-15-6-4-3-5-14(15)19-12)22-7-8-23(16(24)11-22)13-9-18-21(2)10-13/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyRKMTUJSTMQRXFI-UHFFFAOYSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336930
1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one
CID 133336905
1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
CID 133336812
5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile
CID 133336898
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]quinoline-3-carbonitrile
CID 133336920
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956
4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 166183140
6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269886
4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137269890
1-(1-methylpyrazol-4-yl)-4-(3-propan-2-yloxypyrazin-2-yl)piperazin-2-one
CID 133455216

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one (CID 133336819) is 1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one is Cc1nc2ccccc2nc1N1CCN(c2cnn(C)c2)C(=O)C1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one?
The InChIKey is RKMTUJSTMQRXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-17(20-15-6-4-3-5-14(15)19-12)22-7-8-23(16(24)11-22)13-9-18-21(2)10-13/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one?
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one has a molecular weight of 322.37 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one is sourced from PubChem (CID 133336819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).