General Information of the Compound
Compound ID
CP0497705
Compound Name
2,5-dimethyl-3-(6-methylpyridin-3-yl)-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
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Structure
Formula
C20H27N5
Molecular Weight
337.471
Canonical SMILES
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(C)nc1
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InChI
InChI=1S/C20H27N5/c1-6-10-24(11-7-2)18-12-15(4)22-20-19(16(5)23-25(18)20)17-9-8-14(3)21-13-17/h8-9,12-13H,6-7,10-11H2,1-5H3
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InChIKey
CJUMKBYLDDALRW-UHFFFAOYSA-N
Physicochemical Property
logP
4.34296
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
46.32
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 11393576
SID: 16488310
ChEMBL ID
CHEMBL362305
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 21 nM
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   LI
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