General Information of the Compound
Compound ID
CP0504711
Compound Name
6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyridine-3-carbonitrile
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Structure
Formula
C13H12N4
Molecular Weight
224.267
Canonical SMILES
N#Cc1ccc(nc1)-c1cc2CCCCn2n1
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InChI
InChI=1S/C13H12N4/c14-8-10-4-5-12(15-9-10)13-7-11-3-1-2-6-17(11)16-13/h4-5,7,9H,1-3,6H2
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InChIKey
KDUYYHRYRNFDGJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.15308
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
54.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 71813490
ChEMBL ID
CHEMBL2408171
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 > 10000 nM
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