General Information of the Compound
Compound ID
CP0149368
Compound Name
6-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]pyridine-3-carbonitrile
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Structure
Formula
C15H14N4O
Molecular Weight
266.304
Canonical SMILES
O=C(Cc1ccc(cn1)C#N)c1cc2CCCCn2n1
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InChI
InChI=1S/C15H14N4O/c16-9-11-4-5-12(17-10-11)7-15(20)14-8-13-3-1-2-6-19(13)18-14/h4-5,8,10H,1-3,6-7H2
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InChIKey
YCQQYUXBJLMANV-UHFFFAOYSA-N
Physicochemical Property
logP
1.91148
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
71.57
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 71813812
ChEMBL ID
CHEMBL2408158
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 = 53 nM
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