General Information of the Compound
Compound ID
CP0476025
Compound Name
2,3-dimethyl-4-(1-phenylpyrazol-4-yl)pyridine
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Structure
Formula
C16H15N3
Molecular Weight
249.317
Canonical SMILES
Cc1nccc(-c2cnn(c2)-c2ccccc2)c1C
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InChI
InChI=1S/C16H15N3/c1-12-13(2)17-9-8-16(12)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-11H,1-2H3
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InChIKey
LRGZPMFVDLUUNW-UHFFFAOYSA-N
Physicochemical Property
logP
3.55114
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 70683532
ChEMBL ID
CHEMBL2023633
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000051 BHK-21 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 1200 nM
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