General Information of the Compound
Compound ID
CP0487006
Compound Name
3-(1-ethylimidazol-2-yl)-5-methyl-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
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Structure
Formula
C18H19N7O
Molecular Weight
349.398
Canonical SMILES
CCn1ccnc1-c1c[nH]c2c(nc(C)cc12)C(=O)Nc1ccn(C)n1
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InChI
InChI=1S/C18H19N7O/c1-4-25-8-6-19-17(25)13-10-20-15-12(13)9-11(2)21-16(15)18(26)22-14-5-7-24(3)23-14/h5-10,20H,4H2,1-3H3,(H,22,23,26)
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InChIKey
GDTOGQSLXZZPET-UHFFFAOYSA-N
Physicochemical Property
logP
2.74052
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
93.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 66557172
SID: 152163982
ChEMBL ID
CHEMBL2153794
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 = 54 nM
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