General Information of the Compound
Compound ID
CP0524110
Compound Name
N-(cyclopropylmethyl)-7-(2,6-dimethoxyphenyl)-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
    Show/Hide
Structure
Formula
C27H35N3O3
Molecular Weight
449.595
Canonical SMILES
CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cccc1OC
    Show/Hide
InChI
InChI=1S/C27H35N3O3/c1-4-21-27(29(17-19-11-12-19)18-20-13-15-33-16-14-20)23-8-5-7-22(30(23)28-21)26-24(31-2)9-6-10-25(26)32-3/h5-10,19-20H,4,11-18H2,1-3H3
    Show/Hide
InChIKey
YQRUSVXWODTIJY-UHFFFAOYSA-N
Physicochemical Property
logP
5.2239
Rotatable Bonds
9
Heavy Atom Count
33
Polar Areas
48.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 60155794
SID: 144086856
ChEMBL ID
CHEMBL2087570
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)  1
1
IC50 = 105 nM
   TI
   LI
   LO
   TS