General Information of the Compound
Compound ID
CP0375984
Compound Name
2-(2-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
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Structure
Formula
C13H13ClN2
Molecular Weight
232.714
Canonical SMILES
Clc1ccccc1-c1cc2CCCCn2n1
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InChI
InChI=1S/C13H13ClN2/c14-12-7-2-1-6-11(12)13-9-10-5-3-4-8-16(10)15-13/h1-2,6-7,9H,3-5,8H2
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InChIKey
VTTJIVGNHWWFOS-UHFFFAOYSA-N
Physicochemical Property
logP
3.5398
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 71813966
ChEMBL ID
CHEMBL2408175
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2648 nM
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