General Information of the Compound
Compound ID
CP0391222
Compound Name
3-[6-(dimethylamino)-4-methylpyridin-3-yl]-N-(1-methoxybutan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
    Show/Hide
Structure
Formula
C21H30N6O
Molecular Weight
382.512
Canonical SMILES
CCC(COC)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C
    Show/Hide
InChI
InChI=1S/C21H30N6O/c1-8-16(12-28-7)24-19-10-14(3)23-21-20(15(4)25-27(19)21)17-11-22-18(26(5)6)9-13(17)2/h9-11,16,24H,8,12H2,1-7H3
    Show/Hide
InChIKey
VBTQWXMQOWUBAX-UHFFFAOYSA-N
Physicochemical Property
logP
3.61946
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
67.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11211248
SID: 16293742
ChEMBL ID
CHEMBL184284
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 260 nM
   TI
   LI
   LO
   TS