General Information of the Compound
Compound ID
CP0171882
Compound Name
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
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Structure
Formula
C21H25N5O2
Molecular Weight
379.464
Canonical SMILES
COc1ccccc1N1CCN(CCNC(=O)c2cc3ccccn3n2)CC1
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InChI
InChI=1S/C21H25N5O2/c1-28-20-8-3-2-7-19(20)25-14-12-24(13-15-25)11-9-22-21(27)18-16-17-6-4-5-10-26(17)23-18/h2-8,10,16H,9,11-15H2,1H3,(H,22,27)
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InChIKey
LHWCVSFLSQENCZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.8949
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
62.11
Hydrogen Bond Donor Count
1
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: 11068912
SID: 16137206
ChEMBL ID
CHEMBL139722
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: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 251.19 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 250 nM
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 30.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 30 nM