General Information of the Compound
Compound ID
CP0557822
Compound Name
N-(6-methylpyridin-2-yl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
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Structure
Formula
C14H12N4O
Molecular Weight
252.277
Canonical SMILES
Cc1cccc(NC(=O)c2nccc3cc[nH]c23)n1
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InChI
InChI=1S/C14H12N4O/c1-9-3-2-4-11(17-9)18-14(19)13-12-10(5-7-15-12)6-8-16-13/h2-8,15H,1H3,(H,17,18,19)
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InChIKey
KRBOFRLDKXUXMG-UHFFFAOYSA-N
Physicochemical Property
logP
2.51862
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 71460353
SID: 163440539
ChEMBL ID
CHEMBL2153781
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
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
IC50 = 3100 nM
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