2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile

C17H16N4 — CID 82143683

IUPAC2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile
SMILESCc1cnc2c(c1)nc(-c1ccc(C)c(C)c1)n2CC#N
InChIInChI=1S/C17H16N4/c1-11-8-15-17(19-10-11)21(7-6-18)16(20-15)14-5-4-12(2)13(3)9-14/h4-5,8-10H,7H2,1-3H3
InChIKeyPXXAAGUGZTXQQJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.55
Rot. Bonds2

About 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile

2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile (PubChem CID 82143683) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile
PubChem CID82143683
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile
SMILESCc1cnc2c(c1)nc(-c1ccc(C)c(C)c1)n2CC#N
InChIInChI=1S/C17H16N4/c1-11-8-15-17(19-10-11)21(7-6-18)16(20-15)14-5-4-12(2)13(3)9-14/h4-5,8-10H,7H2,1-3H3
InChIKeyPXXAAGUGZTXQQJ-UHFFFAOYSA-N
XLogP3.55
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)acetonitrile
CID 82143696
2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150776
2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile
CID 82143724
2-methyl-3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanenitrile
CID 82146414
2-[2-(3-amino-4-methylphenyl)-5,6-dimethoxybenzimidazol-1-yl]acetonitrile
CID 94748514
3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061511
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061437
4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
CID 82150674
2-[2-(3-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 39157929
3-ethyl-2,6-dimethylimidazo[4,5-b]pyridine
CID 162381340
3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061571
2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile
CID 82146203

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile (CID 82143683) is 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile is Cc1cnc2c(c1)nc(-c1ccc(C)c(C)c1)n2CC#N.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile?
The InChIKey is PXXAAGUGZTXQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-11-8-15-17(19-10-11)21(7-6-18)16(20-15)14-5-4-12(2)13(3)9-14/h4-5,8-10H,7H2,1-3H3.
What are the key properties of 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile?
2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 82143683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).