General Information of the Compound
Compound ID
CP0504707
Compound Name
N-(3-aminopyridin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
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Structure
Formula
C13H15N5O
Molecular Weight
257.297
Canonical SMILES
Nc1cccnc1NC(=O)c1cc2CCCCn2n1
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InChI
InChI=1S/C13H15N5O/c14-10-5-3-6-15-12(10)16-13(19)11-8-9-4-1-2-7-18(9)17-11/h3,5-6,8H,1-2,4,7,14H2,(H,15,16,19)
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InChIKey
KJTZJBCSZSFDHP-UHFFFAOYSA-N
Physicochemical Property
logP
1.4489
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
85.83
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 71813816
ChEMBL ID
CHEMBL2408197
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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   TS