General Information of the Compound
Compound ID
CP0410956
Compound Name
3-(4-isopropylphenyl)-7-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
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Structure
Formula
C25H26N4O2
Molecular Weight
414.509
Canonical SMILES
CC(C)c1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCCOc1ccccc1
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InChI
InChI=1S/C25H26N4O2/c1-17(2)19-9-11-20(12-10-19)23-16-28-29-18(3)22(15-27-24(23)29)25(30)26-13-14-31-21-7-5-4-6-8-21/h4-12,15-17H,13-14H2,1-3H3,(H,26,30)
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InChIKey
UGGSFOBFUBTYAP-UHFFFAOYSA-N
Physicochemical Property
logP
4.63692
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
68.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 44580008
SID: 136917625
ChEMBL ID
CHEMBL490216
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: PT01282, Hydroxycarboxylic acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 6000 nM
   TI
   LI
   LO
   TS
2
IC50 = 1000 nM
   TI
   LI
   LO
   TS