General Information of the Compound
Compound ID
CP0497706
Compound Name
3-(4,6-dimethylpyridin-3-yl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
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Structure
Formula
C21H29N5
Molecular Weight
351.498
Canonical SMILES
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(C)cc1C
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InChI
InChI=1S/C21H29N5/c1-7-9-25(10-8-2)19-12-16(5)23-21-20(17(6)24-26(19)21)18-13-22-15(4)11-14(18)3/h11-13H,7-10H2,1-6H3
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InChIKey
POQVTQKEODEAOZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.65138
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
46.32
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 11450996
SID: 16549977
ChEMBL ID
CHEMBL359784
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 = 7.3 nM
   TI
   LI
   LO
   TS