2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine

C20H21N5 — CID 6482897

IUPAC2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
SMILESCc1ccccc1-c1cncc(N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C20H21N5/c1-16-4-2-3-5-18(16)19-14-22-15-20(23-19)25-12-10-24(11-13-25)17-6-8-21-9-7-17/h2-9,14-15H,10-13H2,1H3
InChIKeyPNJUVUQZIJUPCR-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.17
Rot. Bonds3

About 2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine

2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine (PubChem CID 6482897) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
PubChem CID6482897
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
SMILESCc1ccccc1-c1cncc(N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C20H21N5/c1-16-4-2-3-5-18(16)19-14-22-15-20(23-19)25-12-10-24(11-13-25)17-6-8-21-9-7-17/h2-9,14-15H,10-13H2,1H3
InChIKeyPNJUVUQZIJUPCR-UHFFFAOYSA-N
XLogP3.17
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine (CID 6482897) is 2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine is Cc1ccccc1-c1cncc(N2CCN(c3ccncc3)CC2)n1.
What is the InChIKey of 2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The InChIKey is PNJUVUQZIJUPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-16-4-2-3-5-18(16)19-14-22-15-20(23-19)25-12-10-24(11-13-25)17-6-8-21-9-7-17/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine has a molecular weight of 331.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 6482897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).