General Information of the Compound
Compound ID
CP0481395
Compound Name
N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
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Structure
Formula
C21H26N4O2
Molecular Weight
366.465
Canonical SMILES
COCC(C)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C
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InChI
InChI=1S/C21H26N4O2/c1-13(2)16-6-8-17(9-7-16)19-11-23-25-15(4)18(10-22-20(19)25)21(26)24-14(3)12-27-5/h6-11,13-14H,12H2,1-5H3,(H,24,26)
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InChIKey
CGGPQQYOXKBDOB-UHFFFAOYSA-N
Physicochemical Property
logP
3.59282
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
68.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 44580007
ChEMBL ID
CHEMBL490215
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 = 3200 nM
   TI
   LI
   LO
   TS
2
IC50 = 3400 nM
   TI
   LI
   LO
   TS