General Information of the Compound
Compound ID
CP0289681
Compound Name
3-(5-amino-3-methylpyridin-2-yl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
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Structure
Formula
C20H28N6
Molecular Weight
352.486
Canonical SMILES
CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ncc(N)cc1C
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InChI
InChI=1S/C20H28N6/c1-6-8-25(9-7-2)17-11-14(4)23-20-18(15(5)24-26(17)20)19-13(3)10-16(21)12-22-19/h10-12H,6-9,21H2,1-5H3
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InChIKey
MBANSLYUPGYBGU-UHFFFAOYSA-N
Physicochemical Property
logP
3.92516
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
72.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 11291132
SID: 16378729
ChEMBL ID
CHEMBL182595
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 = 85 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 85 nM