General Information of the Compound
Compound ID
CP0512454
Compound Name
2-ethyl-7-(4-methoxy-2-methylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine
    Show/Hide
Structure
Formula
C23H31N3O
Molecular Weight
365.521
Canonical SMILES
CCCN(CCC)c1c(CC)nn2c(cccc12)-c1ccc(OC)cc1C
    Show/Hide
InChI
InChI=1S/C23H31N3O/c1-6-14-25(15-7-2)23-20(8-3)24-26-21(10-9-11-22(23)26)19-13-12-18(27-5)16-17(19)4/h9-13,16H,6-8,14-15H2,1-5H3
    Show/Hide
InChIKey
DNIIFUHGOJFDAU-UHFFFAOYSA-N
Physicochemical Property
logP
5.50712
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
29.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 21984746
SID: 144086664
ChEMBL ID
CHEMBL2087556
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
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 57 nM
   TI
   LI
   LO
   TS
2
IC50 = 480 nM
   TI
   LI
   LO
   TS