General Information of the Compound
Compound ID
CP0365793
Compound Name
N-(5-fluoropyridin-2-yl)-6-(5-fluoropyridin-3-yl)oxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
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Synonyms
Imidazopyridine and triazolopyridine compound 3
PMID28067079-Compound-107
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Structure
Formula
C17H10F2N6O2
Molecular Weight
368.303
Canonical SMILES
Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1
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InChI
InChI=1S/C17H10F2N6O2/c18-10-1-2-15(21-6-10)24-17(26)14-4-13(8-25-16(14)22-9-23-25)27-12-3-11(19)5-20-7-12/h1-9H,(H,21,24,26)
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InChIKey
UQYDLTVGUNGXDW-UHFFFAOYSA-N
Physicochemical Property
logP
2.8421
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
94.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 91799365
ChEMBL ID
CHEMBL4089114
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A Homo sapiens (Human)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 730 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Imidazopyridine and triazolopyridine compound 3 )
Drug Name Imidazopyridine and triazolopyridine compound 3
Company VANDERBILT UNIVERSITY
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Modulator