General Information of the Compound
Compound ID
CP0438408
Compound Name
1,4-dimethyl-5-(4-methylphenyl)-N-(6-methylpyridin-2-yl)pyrazole-3-carboxamide
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Structure
Formula
C19H20N4O
Molecular Weight
320.396
Canonical SMILES
Cc1c(nn(C)c1-c1ccc(C)cc1)C(=O)Nc1cccc(C)n1
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InChI
InChI=1S/C19H20N4O/c1-12-8-10-15(11-9-12)18-14(3)17(22-23(18)4)19(24)21-16-7-5-6-13(2)20-16/h5-11H,1-4H3,(H,20,21,24)
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InChIKey
GBQMBYCOMUWBGL-UHFFFAOYSA-N
Physicochemical Property
logP
3.65966
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 71579927
SID: 163625386
ChEMBL ID
CHEMBL2349541
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5.3 nM
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