1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one

C16H18N8O — CID 154829998

IUPAC1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1=O
InChIInChI=1S/C16H18N8O/c1-21-6-4-17-15(16(21)25)23-9-7-22(8-10-23)13-11-14(19-12-18-13)24-5-2-3-20-24/h2-6,11-12H,7-10H2,1H3
InChIKeySXLVAAKPBCRURR-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.08
Rot. Bonds3

About 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one

1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one (PubChem CID 154829998) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one
PubChem CID154829998
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1=O
InChIInChI=1S/C16H18N8O/c1-21-6-4-17-15(16(21)25)23-9-7-22(8-10-23)13-11-14(19-12-18-13)24-5-2-3-20-24/h2-6,11-12H,7-10H2,1H3
InChIKeySXLVAAKPBCRURR-UHFFFAOYSA-N
XLogP0.08
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2,6-bis(1H-pyrazol-1-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768406
2-(3-Nitro-1,2,4-triazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 122195190
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 45809829
2-[Methyl(pyrazin-2-yl)amino]-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 53576068
N-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)acetamide
CID 71805365
2-[2-(4-Methylpyrazol-1-yl)ethylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72142066
1-(tert-butyl)-5-(3-oxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 16882098
(4-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)(pyrazin-2-yl)methanone
CID 49675954
1-(4-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)-2-(1H-pyrazol-1-yl)ethanone
CID 76150617
1-(4-Pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one
CID 110874046
2-Methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
CID 110874047
2,2-Dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
CID 110874053

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one (CID 154829998) is 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one is Cn1ccnc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1=O.
What is the InChIKey of 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one?
The InChIKey is SXLVAAKPBCRURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-21-6-4-17-15(16(21)25)23-9-7-22(8-10-23)13-11-14(19-12-18-13)24-5-2-3-20-24/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one?
1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one has a molecular weight of 338.38 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazin-2-one is sourced from PubChem (CID 154829998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).