General Information of the Compound
Compound ID
CP0467384
Compound Name
7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
    Show/Hide
Structure
Formula
C14H11N5O
Molecular Weight
265.276
Canonical SMILES
COc1ccc(cc1)-c1cc(N)n2ncc(C#N)c2n1
    Show/Hide
InChI
InChI=1S/C14H11N5O/c1-20-11-4-2-9(3-5-11)12-6-13(16)19-14(18-12)10(7-15)8-17-19/h2-6,8H,16H2,1H3
    Show/Hide
InChIKey
QHSBQHSGTFDHBA-UHFFFAOYSA-N
Physicochemical Property
logP
1.85878
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
89.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 70686471
ChEMBL ID
CHEMBL2062557
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 = 58 nM
   TI
   LI
   LO
   TS