General Information of the Compound
Compound ID
CP0557823
Compound Name
5-methyl-N-(6-methylpyridin-2-yl)-4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
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Structure
Formula
C20H17N5O
Molecular Weight
343.39
Canonical SMILES
Cc1cccc(NC(=O)c2nc(C)c(-c3ccccn3)c3cc[nH]c23)n1
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InChI
InChI=1S/C20H17N5O/c1-12-6-5-8-16(23-12)25-20(26)19-18-14(9-11-22-18)17(13(2)24-19)15-7-3-4-10-21-15/h3-11,22H,1-2H3,(H,23,25,26)
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InChIKey
PFDLBWJBXLJGAG-UHFFFAOYSA-N
Physicochemical Property
logP
3.88904
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
83.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 71456665
SID: 163440612
ChEMBL ID
CHEMBL2153789
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 = 780 nM
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