General Information of the Compound
Compound ID
CP0424476
Compound Name
N,N-bis(cyclopropylmethyl)-2-ethyl-7-(2-methoxy-4,6-dimethylphenyl)pyrazolo[1,5-a]pyridin-3-amine
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Structure
Formula
C26H33N3O
Molecular Weight
403.57
Canonical SMILES
CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1c(C)cc(C)cc1OC
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InChI
InChI=1S/C26H33N3O/c1-5-21-26(28(15-19-9-10-19)16-20-11-12-20)23-8-6-7-22(29(23)27-21)25-18(3)13-17(2)14-24(25)30-4/h6-8,13-14,19-20H,5,9-12,15-16H2,1-4H3
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InChIKey
QSFPAIIHYRCTNL-UHFFFAOYSA-N
Physicochemical Property
logP
5.81554
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
29.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 21984771
SID: 144086662
ChEMBL ID
CHEMBL2087553
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 = 24 nM
   TI
   LI
   LO
   TS
2
IC50 = 59 nM
   TI
   LI
   LO
   TS