General Information of the Compound
Compound ID
CP0373161
Compound Name
N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-1-ethyl-5-methyl-N-propylpyrazolo[4,3-b]pyridin-7-amine
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Structure
Formula
C22H26Cl2N4
Molecular Weight
417.384
Canonical SMILES
CCCN(CC1CC1)c1cc(C)nc2c(nn(CC)c12)-c1ccc(Cl)cc1Cl
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InChI
InChI=1S/C22H26Cl2N4/c1-4-10-27(13-15-6-7-15)19-11-14(3)25-21-20(26-28(5-2)22(19)21)17-9-8-16(23)12-18(17)24/h8-9,11-12,15H,4-7,10,13H2,1-3H3
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InChIKey
XWHKYGPZURTBQQ-UHFFFAOYSA-N
Physicochemical Property
logP
6.35982
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
33.95
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 9931767
SID: 14904643
ChEMBL ID
CHEMBL112152
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 = 1.7 nM
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