2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile

C20H22N4O2 — CID 89497472

IUPAC2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile
SMILESCOc1cccc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)c1C#N
InChIInChI=1S/C20H22N4O2/c1-20(2,3)12-24-16-10-9-15(22-18(16)23(4)19(24)25)13-7-6-8-17(26-5)14(13)11-21/h6-10H,12H2,1-5H3
InChIKeyRBZMKKWORYMJAP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.33
Rot. Bonds3

About 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile

2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile (PubChem CID 89497472) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile
PubChem CID89497472
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile
SMILESCOc1cccc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)c1C#N
InChIInChI=1S/C20H22N4O2/c1-20(2,3)12-24-16-10-9-15(22-18(16)23(4)19(24)25)13-7-6-8-17(26-5)14(13)11-21/h6-10H,12H2,1-5H3
InChIKeyRBZMKKWORYMJAP-UHFFFAOYSA-N
XLogP3.33
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile
CID 54761230
1-(2,2-dimethylpropyl)-3-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 54761056
2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(isocyanomethyl)benzonitrile
CID 123983604
2-methoxy-6-[3-methyl-1-(3-methylbutyl)-2-oxobenzimidazol-5-yl]benzonitrile
CID 66748991
3-[1-(2-fluoro-2-methylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]pyridine-4-carbonitrile
CID 54761053
5-[5-(bromomethyl)-2-methylphenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 86691860
2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile
CID 149081172
5-[6-(dimethylamino)-3-pyridinyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 54761749
1-(2,2-dimethylpropyl)-3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]oct-5-en-5-yl)imidazo[4,5-b]pyridin-2-one
CID 71135235
2-methoxy-6-propan-2-ylbenzonitrile
CID 59589303
[(2R,4S)-1-[[4-cyano-3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]methyl]-2-(trifluoromethyl)piperidin-4-yl]carbamic acid
CID 89497717
1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one
CID 71136197

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile (CID 89497472) is 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile is COc1cccc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)c1C#N.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile?
The InChIKey is RBZMKKWORYMJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2,3)12-24-16-10-9-15(22-18(16)23(4)19(24)25)13-7-6-8-17(26-5)14(13)11-21/h6-10H,12H2,1-5H3.
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile?
2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile has a molecular weight of 350.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-6-methoxybenzonitrile is sourced from PubChem (CID 89497472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).