3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

C23H19F3N6 — CID 24592252

IUPAC3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C23H19F3N6/c1-15-12-21(32-19-5-3-2-4-18(19)29-22(32)17(15)13-27)31-10-8-30(9-11-31)20-7-6-16(14-28-20)23(24,25)26/h2-7,12,14H,8-11H2,1H3
InChIKeyFKKCQMMBHSXSQA-UHFFFAOYSA-N
MW436.44 g/mol
LogP4.41
Rot. Bonds2

About 3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 24592252) has the molecular formula C23H19F3N6 and a molecular weight of 436.44 g/mol. Its IUPAC name is 3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID24592252
Molecular FormulaC23H19F3N6
Molecular Weight436.44 g/mol
Exact Mass436.16
IUPAC Name3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C23H19F3N6/c1-15-12-21(32-19-5-3-2-4-18(19)29-22(32)17(15)13-27)31-10-8-30(9-11-31)20-7-6-16(14-28-20)23(24,25)26/h2-7,12,14H,8-11H2,1H3
InChIKeyFKKCQMMBHSXSQA-UHFFFAOYSA-N
XLogP4.41
TPSA60.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 986224
3-methyl-1-piperazin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726802
1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3274860
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726811
1-morpholin-4-yl-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 930207
N-tert-butyl-2-[4-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazin-1-yl]acetamide
CID 24632807
3-methyl-1-(3-oxopiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 24592248
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-methylpiperidine-4-carboxamide
CID 24632833
1-[4-(3,5-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133362459
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 24632802
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133474956
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 17436066

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 24592252) is 3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is FKKCQMMBHSXSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6/c1-15-12-21(32-19-5-3-2-4-18(19)29-22(32)17(15)13-27)31-10-8-30(9-11-31)20-7-6-16(14-28-20)23(24,25)26/h2-7,12,14H,8-11H2,1H3.
What are the key properties of 3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile?
3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 436.44 g/mol, XLogP of 4.41, 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-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 24592252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).