General Information of the Compound
Compound ID
CP0501042
Compound Name
N-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
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Structure
Formula
C13H10N4O
Molecular Weight
238.25
Canonical SMILES
O=C(Nc1ccccn1)c1nccc2cc[nH]c12
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InChI
InChI=1S/C13H10N4O/c18-13(17-10-3-1-2-6-14-10)12-11-9(4-7-15-11)5-8-16-12/h1-8,15H,(H,14,17,18)
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InChIKey
YTASVSOTTOCTAW-UHFFFAOYSA-N
Physicochemical Property
logP
2.2102
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 71456662
SID: 163440537
ChEMBL ID
CHEMBL2153779
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 = 240 nM
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