EFPPEA   

GtoPdb Ligand ID: 7774

Synonyms: ethyl-furo-pyrazolo-pyridine-ethyl-acetamide | N-[2-(2-Ethyl-8,9-dihydrofuro[3,2-c]pyrazolo[1,5-a]pyridin-1-yl)ethyl]acetamide
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 55.63
Molecular weight 273.15
XLogP 1.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCc1nn2c(c1CCNC(=O)C)c1CCOc1cc2
Isomeric SMILES CCc1nn2c(c1CCNC(=O)C)c1CCOc1cc2
InChI InChI=1S/C15H19N3O2/c1-3-13-11(4-7-16-10(2)19)15-12-6-9-20-14(12)5-8-18(15)17-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19)
InChI Key IZDHETWMKYCGAU-UHFFFAOYSA-N
References
1. Koike T, Takai T, Hoashi Y, Nakayama M, Kosugi Y, Nakashima M, Yoshikubo S, Hirai K, Uchikawa O. (2011)
Synthesis of a novel series of tricyclic dihydrofuran derivatives: discovery of 8,9-dihydrofuro[3,2-c]pyrazolo[1,5-a]pyridines as melatonin receptor (MT1/MT2) ligands.
J. Med. Chem., 54 (12): 4207-18. [PMID:21568291]