General Information of the Compound
Compound ID
CP0538613
Compound Name
1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one
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Structure
Formula
C19H23N3O
Molecular Weight
309.413
Canonical SMILES
Cc1ccc(cc1)-c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
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InChI
InChI=1S/C19H23N3O/c1-13-6-8-14(9-7-13)15-10-11-16-17(20-15)21(5)18(23)22(16)12-19(2,3)4/h6-11H,12H2,1-5H3
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InChIKey
QGOWPLLCVJGEON-UHFFFAOYSA-N
Physicochemical Property
logP
3.75652
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
39.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 89735684
ChEMBL ID
CHEMBL3764850
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 313 nM
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