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

C19H20N4O — CID 89497792

IUPAC4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(C#N)cc3)nc21
InChIInChI=1S/C19H20N4O/c1-19(2,3)12-23-16-10-9-15(21-17(16)22(4)18(23)24)14-7-5-13(11-20)6-8-14/h5-10H,12H2,1-4H3
InChIKeyZWORKOVDUVHTKX-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.32
Rot. Bonds2

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

4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile (PubChem CID 89497792) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile
PubChem CID89497792
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(C#N)cc3)nc21
InChIInChI=1S/C19H20N4O/c1-19(2,3)12-23-16-10-9-15(21-17(16)22(4)18(23)24)14-7-5-13(11-20)6-8-14/h5-10H,12H2,1-4H3
InChIKeyZWORKOVDUVHTKX-UHFFFAOYSA-N
XLogP3.32
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile (CID 89497792) is 4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile is Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(C#N)cc3)nc21.
What is the InChIKey of 4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile?
The InChIKey is ZWORKOVDUVHTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-19(2,3)12-23-16-10-9-15(21-17(16)22(4)18(23)24)14-7-5-13(11-20)6-8-14/h5-10H,12H2,1-4H3.
What are the key properties of 4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile?
4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile has a molecular weight of 320.40 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 89497792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).