General Information of the Compound
Compound ID
CP0577232
Compound Name
1-(5-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-5-phenylpyrrolidin-2-one
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Structure
Formula
C22H19N5O
Molecular Weight
369.428
Canonical SMILES
Cc1cc(N2C(CCC2=O)c2ccccc2)n2ncc(-c3ccccn3)c2n1
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InChI
InChI=1S/C22H19N5O/c1-15-13-20(26-19(10-11-21(26)28)16-7-3-2-4-8-16)27-22(25-15)17(14-24-27)18-9-5-6-12-23-18/h2-9,12-14,19H,10-11H2,1H3
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InChIKey
JWIMFPNQPCEUMY-UHFFFAOYSA-N
Physicochemical Property
logP
3.96782
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
63.39
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 168275325
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: PT03123, G-protein coupled receptor 39
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 > 27100 nM
   TI
   LI
   LO
   TS
2
EC50 > 31600 nM
   TI
   LI
   LO
   TS