General Information of the Compound
Compound ID
CP0435722
Compound Name
3-[6-(dimethylamino)-4-methylpyridin-3-yl]-2,5-dimethyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
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Structure
Formula
C21H30N6
Molecular Weight
366.513
Canonical SMILES
CC(C)C(C)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C
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InChI
InChI=1S/C21H30N6/c1-12(2)15(5)24-19-10-14(4)23-21-20(16(6)25-27(19)21)17-11-22-18(26(7)8)9-13(17)3/h9-12,15,24H,1-8H3
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InChIKey
FZJJTUZXWPHQFO-UHFFFAOYSA-N
Physicochemical Property
logP
4.23896
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
58.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 11485413
SID: 16587027
ChEMBL ID
CHEMBL426260
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 = 17 nM
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