3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile

C18H18N4O — CID 94745988

IUPAC3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
SMILESCc1cnc2c(c1)nc(CCOc1ccccc1)n2CCC#N
InChIInChI=1S/C18H18N4O/c1-14-12-16-18(20-13-14)22(10-5-9-19)17(21-16)8-11-23-15-6-3-2-4-7-15/h2-4,6-7,12-13H,5,8,10-11H2,1H3
InChIKeyXXAZZAVGAGIJBF-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.27
Rot. Bonds6

About 3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile

3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile (PubChem CID 94745988) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
PubChem CID94745988
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
SMILESCc1cnc2c(c1)nc(CCOc1ccccc1)n2CCC#N
InChIInChI=1S/C18H18N4O/c1-14-12-16-18(20-13-14)22(10-5-9-19)17(21-16)8-11-23-15-6-3-2-4-7-15/h2-4,6-7,12-13H,5,8,10-11H2,1H3
InChIKeyXXAZZAVGAGIJBF-UHFFFAOYSA-N
XLogP3.27
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 145420127
2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide
CID 82151301
3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 82143536
3-[6-chloro-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 94745997
6-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-2-amine
CID 79301336
2-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 82061603
3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209586
4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 94758757
3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile
CID 82143553
4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 82151993
3-methyl-2-(2-phenoxyethyl)benzimidazole-5-carbonitrile
CID 104712639
2-[6-methyl-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150790

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile?
The IUPAC name of 3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile (CID 94745988) is 3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile.
What is the SMILES notation for 3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile?
The canonical SMILES for 3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile is Cc1cnc2c(c1)nc(CCOc1ccccc1)n2CCC#N.
What is the InChIKey of 3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile?
The InChIKey is XXAZZAVGAGIJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-14-12-16-18(20-13-14)22(10-5-9-19)17(21-16)8-11-23-15-6-3-2-4-7-15/h2-4,6-7,12-13H,5,8,10-11H2,1H3.
What are the key properties of 3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile?
3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile has a molecular weight of 306.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile is sourced from PubChem (CID 94745988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).