3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile

C22H20N6 — CID 646520

IUPAC3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(N2CCN(c3ccccn3)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C22H20N6/c1-16-14-21(27-12-10-26(11-13-27)20-8-4-5-9-24-20)28-19-7-3-2-6-18(19)25-22(28)17(16)15-23/h2-9,14H,10-13H2,1H3
InChIKeyYOAJKJBVEWBXIT-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.39
Rot. Bonds2

About 3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile

3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 646520) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID646520
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(N2CCN(c3ccccn3)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C22H20N6/c1-16-14-21(27-12-10-26(11-13-27)20-8-4-5-9-24-20)28-19-7-3-2-6-18(19)25-22(28)17(16)15-23/h2-9,14H,10-13H2,1H3
InChIKeyYOAJKJBVEWBXIT-UHFFFAOYSA-N
XLogP3.39
TPSA60.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile 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 3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 646520) is 3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(N2CCN(c3ccccn3)CC2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is YOAJKJBVEWBXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-16-14-21(27-12-10-26(11-13-27)20-8-4-5-9-24-20)28-19-7-3-2-6-18(19)25-22(28)17(16)15-23/h2-9,14H,10-13H2,1H3.
What are the key properties of 3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 368.44 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 646520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).