General Information of the Compound
Compound ID
CP0375980
Compound Name
N-(5-chloropyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
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Structure
Formula
C13H13ClN4O
Molecular Weight
276.727
Canonical SMILES
Clc1ccc(NC(=O)c2cc3CCCCn3n2)nc1
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InChI
InChI=1S/C13H13ClN4O/c14-9-4-5-12(15-8-9)16-13(19)11-7-10-3-1-2-6-18(10)17-11/h4-5,7-8H,1-3,6H2,(H,15,16,19)
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InChIKey
WDRXDJHWZLRTMQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.5201
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 71813961
ChEMBL ID
CHEMBL2408152
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 = 262 nM
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