General Information of the Compound
Compound ID
CP0439818
Compound Name
3-(4-isopropylphenyl)-7-methyl-N-(2-(p-tolyloxy)ethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
    Show/Hide
Structure
Formula
C26H28N4O2
Molecular Weight
428.536
Canonical SMILES
CC(C)c1ccc(cc1)-c1cnn2c(C)c(cnc12)C(=O)NCCOc1ccc(C)cc1
    Show/Hide
InChI
InChI=1S/C26H28N4O2/c1-17(2)20-7-9-21(10-8-20)24-16-29-30-19(4)23(15-28-25(24)30)26(31)27-13-14-32-22-11-5-18(3)6-12-22/h5-12,15-17H,13-14H2,1-4H3,(H,27,31)
    Show/Hide
InChIKey
UFCRTYHSRGWXJL-UHFFFAOYSA-N
Physicochemical Property
logP
4.94534
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
68.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44579761
ChEMBL ID
CHEMBL492019
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)  1
1
EC50 = 2100 nM
   TI
   LI
   LO
   TS