2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine

C16H18N8 — CID 163352906

IUPAC2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine
SMILESCn1cc(-c2cncc(N3CCN(c4ncccn4)CC3)n2)cn1
InChIInChI=1S/C16H18N8/c1-22-12-13(9-20-22)14-10-17-11-15(21-14)23-5-7-24(8-6-23)16-18-3-2-4-19-16/h2-4,9-12H,5-8H2,1H3
InChIKeyZFMCVFAFLMLKJZ-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.99
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine

2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine (PubChem CID 163352906) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine
PubChem CID163352906
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine
SMILESCn1cc(-c2cncc(N3CCN(c4ncccn4)CC3)n2)cn1
InChIInChI=1S/C16H18N8/c1-22-12-13(9-20-22)14-10-17-11-15(21-14)23-5-7-24(8-6-23)16-18-3-2-4-19-16/h2-4,9-12H,5-8H2,1H3
InChIKeyZFMCVFAFLMLKJZ-UHFFFAOYSA-N
XLogP0.99
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4,5-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163351387
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 163352896
2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163354789
6,7-dimethoxy-4-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]quinazoline
CID 163354995
3-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 163352482
2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 163354935
5-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 163354824
2-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazine
CID 163352310
6-(1-methylpyrazol-4-yl)pyrazine-2-carbaldehyde
CID 175460538
N-cyano-4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-propan-2-yl-N'-quinolin-5-ylpiperazine-1-carboximidamide
CID 59690135
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
3-(4-pyrimidin-2-ylpiperazin-1-yl)benzo[g]quinoxaline
CID 70165871

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine (CID 163352906) is 2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine is Cn1cc(-c2cncc(N3CCN(c4ncccn4)CC3)n2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine?
The InChIKey is ZFMCVFAFLMLKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8/c1-22-12-13(9-20-22)14-10-17-11-15(21-14)23-5-7-24(8-6-23)16-18-3-2-4-19-16/h2-4,9-12H,5-8H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine?
2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine has a molecular weight of 322.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 163352906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).