General Information of the Compound
Compound ID
CP0497034
Compound Name
3-[6-(dimethylamino)-2,4-dimethylpyridin-3-yl]-5-methyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
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Structure
Formula
C22H32N6
Molecular Weight
380.54
Canonical SMILES
CCCN(CCC)c1cc(C)nc2c(cnn12)-c1c(C)cc(nc1C)N(C)C
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InChI
InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-18(14-23-28(20)22)21-15(3)12-19(26(6)7)25-17(21)5/h12-14H,8-11H2,1-7H3
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InChIKey
YUSMUHCLTFNPGE-UHFFFAOYSA-N
Physicochemical Property
logP
4.40896
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
49.56
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 11153216
SID: 16232023
ChEMBL ID
CHEMBL364828
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 = 20 nM
   TI
   LI
   LO
   TS