General Information of the Compound
Compound ID
CP0503322
Compound Name
5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
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Structure
Formula
C24H32ClN5O
Molecular Weight
442.007
Canonical SMILES
CCCN(CCC)c1c(C2CCCC2)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
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InChI
InChI=1S/C24H32ClN5O/c1-4-14-29(15-5-2)24-22(17-8-6-7-9-17)23(28-21-12-13-26-30(21)24)27-20-11-10-18(31-3)16-19(20)25/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,27,28)
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InChIKey
JBEUTXLYRIKNHE-UHFFFAOYSA-N
Physicochemical Property
logP
6.4189
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
54.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 56666769
ChEMBL ID
CHEMBL1828894
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 308 nM
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