General Information of the Compound
Compound ID
CP0514855
Compound Name
5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
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Structure
Formula
C18H15N7O
Molecular Weight
345.366
Canonical SMILES
COc1ccc(cc1)-c1cc(Nc2ccn(C)n2)n2ncc(C#N)c2n1
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InChI
InChI=1S/C18H15N7O/c1-24-8-7-16(23-24)22-17-9-15(12-3-5-14(26-2)6-4-12)21-18-13(10-19)11-20-25(17)18/h3-9,11H,1-2H3,(H,22,23)
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InChIKey
GPDNKMBIWFHBEU-UHFFFAOYSA-N
Physicochemical Property
logP
2.75368
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
93.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
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: 70694813
ChEMBL ID
CHEMBL2062561
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 = 52 nM
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