3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

C23H22N6 — CID 986224

IUPAC3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cccc(N2CCN(c3cc(C)c(C#N)c4nc5ccccc5n34)CC2)n1
InChIInChI=1S/C23H22N6/c1-16-14-22(28-12-10-27(11-13-28)21-9-5-6-17(2)25-21)29-20-8-4-3-7-19(20)26-23(29)18(16)15-24/h3-9,14H,10-13H2,1-2H3
InChIKeySHLSFXPCGYERKB-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.70
Rot. Bonds2

About 3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 986224) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID986224
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC Name3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cccc(N2CCN(c3cc(C)c(C#N)c4nc5ccccc5n34)CC2)n1
InChIInChI=1S/C23H22N6/c1-16-14-22(28-12-10-27(11-13-28)21-9-5-6-17(2)25-21)29-20-8-4-3-7-19(20)26-23(29)18(16)15-24/h3-9,14H,10-13H2,1-2H3
InChIKeySHLSFXPCGYERKB-UHFFFAOYSA-N
XLogP3.70
TPSA60.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 986224) is 3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cccc(N2CCN(c3cc(C)c(C#N)c4nc5ccccc5n34)CC2)n1.
What is the InChIKey of 3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is SHLSFXPCGYERKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-16-14-22(28-12-10-27(11-13-28)21-9-5-6-17(2)25-21)29-20-8-4-3-7-19(20)26-23(29)18(16)15-24/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 382.47 g/mol, XLogP of 3.70, 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-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 986224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).