General Information of the Compound
Compound ID
CP0480144
Compound Name
1-methyl-N-(6-methylpyridin-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
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Structure
Formula
C15H18N4O
Molecular Weight
270.336
Canonical SMILES
Cc1cccc(NC(=O)c2nn(C)c3CCCCc23)n1
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InChI
InChI=1S/C15H18N4O/c1-10-6-5-9-13(16-10)17-15(20)14-11-7-3-4-8-12(11)19(2)18-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17,20)
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InChIKey
SZUBXJLWPFYTPT-UHFFFAOYSA-N
Physicochemical Property
logP
2.25462
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 71720843
ChEMBL ID
CHEMBL2349529
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 27 nM
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