General Information of the Compound
Compound ID
CP0051911
Compound Name
(5R)-N,N-dipropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
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Structure
Formula
C13H23N3
Molecular Weight
221.348
Canonical SMILES
CCCN(CCC)[C@@H]1CCn2nccc2C1
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InChI
InChI=1S/C13H23N3/c1-3-8-15(9-4-2)12-6-10-16-13(11-12)5-7-14-16/h5,7,12H,3-4,6,8-11H2,1-2H3/t12-/m1/s1
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InChIKey
LVAZPFMWSRDRRK-GFCCVEGCSA-N
Physicochemical Property
logP
2.3199
Rotatable Bonds
5
Heavy Atom Count
16
Polar Areas
21.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 11708363
SID: 16813095
ChEMBL ID
CHEMBL197159
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)  4
1
Ki > 20000 nM
   TI
   LI
   LO
   TS
2
Ki = 53000 nM
   TI
   LI
   LO
   TS
3
Ki = 55000 nM
   TI
   LI
   LO
   TS
4
Ki = 57000 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)  3
1
Ki = 2100 nM
   TI
   LI
   LO
   TS
2
Ki = 2700 nM
   TI
   LI
   LO
   TS
3
Ki = 4300 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)  2
1
Ki = 13000 nM
   TI
   LI
   LO
   TS
2
Ki = 17000 nM
   TI
   LI
   LO
   TS