General Information of the Compound
Compound ID
CP0297053
Compound Name
5-Propylamino-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridine-3-carboxylic acid methyl ester
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Structure
Formula
C12H19N3O2
Molecular Weight
237.303
Canonical SMILES
CCCNC1CCn2ncc(C(=O)OC)c2C1
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InChI
InChI=1S/C12H19N3O2/c1-3-5-13-9-4-6-15-11(7-9)10(8-14-15)12(16)17-2/h8-9,13H,3-7H2,1-2H3
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InChIKey
YTVZWXSONDLPSZ-UHFFFAOYSA-N
Physicochemical Property
logP
0.9841
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
56.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 11630058
SID: 16733136
ChEMBL ID
CHEMBL383805
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS
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 = 12000 nM
   TI
   LI
   LO
   TS
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 = 90000 nM
   TI
   LI
   LO
   TS