General Information of the Compound
Compound ID
CP0568569
Compound Name
5-methyl-3-pyridin-2-yl-7-(2-pyridin-3-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
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Structure
Formula
C21H20N6
Molecular Weight
356.433
Canonical SMILES
Cc1cc(N2CCCC2c2cccnc2)n2ncc(-c3ccccn3)c2n1
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InChI
InChI=1S/C21H20N6/c1-15-12-20(26-11-5-8-19(26)16-6-4-9-22-13-16)27-21(25-15)17(14-24-27)18-7-2-3-10-23-18/h2-4,6-7,9-10,12-14,19H,5,8,11H2,1H3
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InChIKey
YGGNEDPCSSLGDD-UHFFFAOYSA-N
Physicochemical Property
logP
3.83622
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
59.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 168276005
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)  1
1
EC50 > 27100 nM
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