General Information of the Compound
Compound ID
CP0486649
Compound Name
N-cyclopentyl-N'-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
    Show/Hide
Structure
Formula
C24H33N5
Molecular Weight
391.563
Canonical SMILES
Cc1nn2c(NCCNC3CCCC3)cc(C)nc2c1-c1c(C)cc(C)cc1C
    Show/Hide
InChI
InChI=1S/C24H33N5/c1-15-12-16(2)22(17(3)13-15)23-19(5)28-29-21(14-18(4)27-24(23)29)26-11-10-25-20-8-6-7-9-20/h12-14,20,25-26H,6-11H2,1-5H3
    Show/Hide
InChIKey
DVEWGRXTKZEQIV-UHFFFAOYSA-N
Physicochemical Property
logP
4.8825
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
54.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 9908496
SID: 14878611
ChEMBL ID
CHEMBL1771256
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: PT02259, Neuropeptide Y receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 21 nM
   TI
   LI
   LO
   TS