General Information of the Compound
Compound ID
CP0527633
Compound Name
3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[4,3-b]pyridin-7-amine
    Show/Hide
Structure
Formula
C20H25ClN4
Molecular Weight
356.901
Canonical SMILES
CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)n(C)nc12
    Show/Hide
InChI
InChI=1S/C20H25ClN4/c1-5-11-25(12-6-2)17-13-14(3)22-19-18(17)23-24(4)20(19)15-7-9-16(21)10-8-15/h7-10,13H,5-6,11-12H2,1-4H3
    Show/Hide
InChIKey
RZYYKIAFLNXLER-UHFFFAOYSA-N
Physicochemical Property
logP
5.22352
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
33.95
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 44341463
ChEMBL ID
CHEMBL324495
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
CL000809 HEK273 Homo sapiens (Human)  1
1
Ki = 81.5 nM
   TI
   LI
   LO
   TS