General Information of the Compound
Compound ID
CP0548234
Compound Name
5,7-dimethyl-2-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
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Structure
Formula
C20H16N6
Molecular Weight
340.39
Canonical SMILES
Cc1cc(C)n2nc(nc2n1)-c1ccc2cc(nn2c1)-c1ccccc1
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InChI
InChI=1S/C20H16N6/c1-13-10-14(2)26-20(21-13)22-19(24-26)16-8-9-17-11-18(23-25(17)12-16)15-6-4-3-5-7-15/h3-12H,1-2H3
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InChIKey
BMXPIZGAKIRSLE-UHFFFAOYSA-N
Physicochemical Property
logP
3.72284
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
60.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 145952823
ChEMBL ID
CHEMBL4169535
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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 770 nM
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