General Information of the Compound
Compound ID
CP0429939
Compound Name
2-(5-chloropyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
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Structure
Formula
C12H12ClN3
Molecular Weight
233.702
Canonical SMILES
Clc1ccc(nc1)-c1cc2CCCCn2n1
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InChI
InChI=1S/C12H12ClN3/c13-9-4-5-11(14-8-9)12-7-10-3-1-2-6-16(10)15-12/h4-5,7-8H,1-3,6H2
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InChIKey
QAHGEVAGKOYUKC-UHFFFAOYSA-N
Physicochemical Property
logP
2.9348
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
30.71
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: 71813489
ChEMBL ID
CHEMBL2408170
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 = 669 nM
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