General Information of the Compound
Compound ID
CP0237813
Compound Name
(5-Dipropylamino-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-3-yl)-methanol
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Structure
Formula
C14H25N3O
Molecular Weight
251.374
Canonical SMILES
CCCN(CCC)C1CCn2ncc(CO)c2C1
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InChI
InChI=1S/C14H25N3O/c1-3-6-16(7-4-2)13-5-8-17-14(9-13)12(11-18)10-15-17/h10,13,18H,3-9,11H2,1-2H3
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InChIKey
RVLMLEAKRSXVHD-UHFFFAOYSA-N
Physicochemical Property
logP
1.8122
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
41.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 11615782
SID: 16718652
ChEMBL ID
CHEMBL198125
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 > 20000 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 > 4000 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 = 16000 nM
   TI
   LI
   LO
   TS