General Information of the Compound
Compound ID
CP0044525
Compound Name
N-(5-cyanopyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
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Structure
Formula
C14H13N5O
Molecular Weight
267.292
Canonical SMILES
O=C(Nc1ccc(cn1)C#N)c1cc2CCCCn2n1
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InChI
InChI=1S/C14H13N5O/c15-8-10-4-5-13(16-9-10)17-14(20)12-7-11-3-1-2-6-19(11)18-12/h4-5,7,9H,1-3,6H2,(H,16,17,20)
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InChIKey
ZNJHHOZNKVSZKC-UHFFFAOYSA-N
Physicochemical Property
logP
1.73838
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
83.6
Hydrogen Bond Donor Count
1
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: 71813958
ChEMBL ID
CHEMBL2408007
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 = 90 nM
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