General Information of the Compound
Compound ID
CP0560077
Compound Name
2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
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Structure
Formula
C13H14N2
Molecular Weight
198.269
Canonical SMILES
C1CCn2nc(cc2C1)-c1ccccc1
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InChI
InChI=1S/C13H14N2/c1-2-6-11(7-3-1)13-10-12-8-4-5-9-15(12)14-13/h1-3,6-7,10H,4-5,8-9H2
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InChIKey
VRBDYOOPBFYHPM-UHFFFAOYSA-N
Physicochemical Property
logP
2.8864
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 57127490
ChEMBL ID
CHEMBL2408174
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 = 1895 nM
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