General Information of the Compound
Compound ID
CP0483783
Compound Name
1,4-dimethyl-N-(6-methylpyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
    Show/Hide
Structure
Formula
C19H17F3N4O
Molecular Weight
374.366
Canonical SMILES
Cc1c(nn(C)c1-c1ccc(cc1)C(F)(F)F)C(=O)Nc1cccc(C)n1
    Show/Hide
InChI
InChI=1S/C19H17F3N4O/c1-11-5-4-6-15(23-11)24-18(27)16-12(2)17(26(3)25-16)13-7-9-14(10-8-13)19(20,21)22/h4-10H,1-3H3,(H,23,24,27)
    Show/Hide
InChIKey
LQCNJGKMVNOKBA-UHFFFAOYSA-N
Physicochemical Property
logP
4.37004
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71579928
SID: 163625387
ChEMBL ID
CHEMBL2349542
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 = 38 nM
   TI
   LI
   LO
   TS