General Information of the Compound
Compound ID
CP0508222
Compound Name
4-acetyl-5-methyl-N-(6-methylpyridin-2-yl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
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Structure
Formula
C17H16N4O2
Molecular Weight
308.341
Canonical SMILES
CC(=O)c1c(C)nc(C(=O)Nc2cccc(C)n2)c2[nH]ccc12
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InChI
InChI=1S/C17H16N4O2/c1-9-5-4-6-13(19-9)21-17(23)16-15-12(7-8-18-15)14(11(3)22)10(2)20-16/h4-8,18H,1-3H3,(H,19,21,23)
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InChIKey
CQWJMZNRRBUBPV-UHFFFAOYSA-N
Physicochemical Property
logP
3.02964
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
87.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 71454888
SID: 163440611
ChEMBL ID
CHEMBL2153788
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 = 540 nM
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