General Information of the Compound
Compound ID
CP0497467
Compound Name
5-methyl-N-(1-methylpyrazol-3-yl)-3-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
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Structure
Formula
C18H16N6O
Molecular Weight
332.367
Canonical SMILES
Cc1cc2c(c[nH]c2c(n1)C(=O)Nc1ccn(C)n1)-c1ccccn1
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InChI
InChI=1S/C18H16N6O/c1-11-9-12-13(14-5-3-4-7-19-14)10-20-16(12)17(21-11)18(25)22-15-6-8-24(2)23-15/h3-10,20H,1-2H3,(H,22,23,25)
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InChIKey
XZFFFJPETMKNMZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.91912
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
88.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 71451335
SID: 163440615
ChEMBL ID
CHEMBL2153792
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 = 65 nM
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