General Information of the Compound
Compound ID
CP0160562
Compound Name
N'-[2,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
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Structure
Formula
C19H25N5
Molecular Weight
323.444
Canonical SMILES
Cc1nn2c(NCCN)cc(C)nc2c1-c1c(C)cc(C)cc1C
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InChI
InChI=1S/C19H25N5/c1-11-8-12(2)17(13(3)9-11)18-15(5)23-24-16(21-7-6-20)10-14(4)22-19(18)24/h8-10,21H,6-7,20H2,1-5H3
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InChIKey
UVAHCYCPGXCPIU-UHFFFAOYSA-N
Physicochemical Property
logP
3.309
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
68.24
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 22617869
ChEMBL ID
CHEMBL1771254
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 = 2300 nM
   TI
   LI
   LO
   TS