General Information of the Compound
Compound ID
CP0463412
Compound Name
N-(5-fluoropyridin-2-yl)-6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
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Synonyms
Imidazopyridine and triazolopyridine compound 4
PMID28067079-Compound-108
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Structure
Formula
C16H10FN7O2
Molecular Weight
351.301
Canonical SMILES
Fc1ccc(NC(=O)c2cc(Oc3cncnc3)cn3ncnc23)nc1
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InChI
InChI=1S/C16H10FN7O2/c17-10-1-2-14(20-4-10)23-16(25)13-3-11(7-24-15(13)21-9-22-24)26-12-5-18-8-19-6-12/h1-9H,(H,20,23,25)
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InChIKey
CBMXXEDRQZKTGZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.098
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
107.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
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: 118096900
ChEMBL ID
CHEMBL4085919
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: 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 > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Imidazopyridine and triazolopyridine compound 4 )
Drug Name Imidazopyridine and triazolopyridine compound 4
Company VANDERBILT UNIVERSITY
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Modulator