General Information of the Compound
Compound ID
CP0521661
Compound Name
7-(cyclopropylamino)-5-(4-methoxypyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
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Structure
Formula
C16H14N6O
Molecular Weight
306.329
Canonical SMILES
COc1ccncc1-c1cc(NC2CC2)n2ncc(C#N)c2n1
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InChI
InChI=1S/C16H14N6O/c1-23-14-4-5-18-9-12(14)13-6-15(20-11-2-3-11)22-16(21-13)10(7-17)8-19-22/h4-6,8-9,11,20H,2-3H2,1H3
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InChIKey
HGMNQQGPCLCZPO-UHFFFAOYSA-N
Physicochemical Property
logP
2.24588
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
88.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
23

"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: 70690635
ChEMBL ID
CHEMBL2062562
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 = 250 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
GI50 = 15000 nM
   TI
   LI
   LO
   TS