General Information of the Compound
Compound ID
CP0566498
Compound Name
7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
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Structure
Formula
C13H9N5
Molecular Weight
235.25
Canonical SMILES
Nc1cc(nc2c(cnn12)C#N)-c1ccccc1
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InChI
InChI=1S/C13H9N5/c14-7-10-8-16-18-12(15)6-11(17-13(10)18)9-4-2-1-3-5-9/h1-6,8H,15H2
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InChIKey
OFOBESMNUFHZLF-UHFFFAOYSA-N
Physicochemical Property
logP
1.85018
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
80
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 70694812
ChEMBL ID
CHEMBL2062556
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: PT01210, Casein kinase II subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 180 nM
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