1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C23H22N6O — CID 133474956

IUPAC1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(N2CCC(c3noc(C4CC4)n3)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C23H22N6O/c1-14-12-20(29-19-5-3-2-4-18(19)25-22(29)17(14)13-24)28-10-8-15(9-11-28)21-26-23(30-27-21)16-6-7-16/h2-5,12,15-16H,6-11H2,1H3
InChIKeyAXIJJIIMFVTDMI-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.31
Rot. Bonds3

About 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 133474956) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID133474956
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(N2CCC(c3noc(C4CC4)n3)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C23H22N6O/c1-14-12-20(29-19-5-3-2-4-18(19)25-22(29)17(14)13-24)28-10-8-15(9-11-28)21-26-23(30-27-21)16-6-7-16/h2-5,12,15-16H,6-11H2,1H3
InChIKeyAXIJJIIMFVTDMI-UHFFFAOYSA-N
XLogP4.31
TPSA83.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-1-piperazin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726802
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide
CID 24632833
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726811
3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 986224
1-[1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperidin-4-yl]-3-phenylurea
CID 60570202
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 78898536
1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133331927
1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3274860
3-methyl-1-(3-oxopiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 24592248
3-methyl-1-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133341797
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 24632802
3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 24592252

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 133474956) is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(N2CCC(c3noc(C4CC4)n3)CC2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is AXIJJIIMFVTDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-14-12-20(29-19-5-3-2-4-18(19)25-22(29)17(14)13-24)28-10-8-15(9-11-28)21-26-23(30-27-21)16-6-7-16/h2-5,12,15-16H,6-11H2,1H3.
What are the key properties of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 398.47 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 133474956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).