Pumosetrag
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
Molecular Identity
Pumosetrag
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID: 154104
2D Structure
Properties
C15H17N3O2S
Molecular Formula
303.40
Molecular Weight
g/mol
303.1041
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
89.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
499
Complexity
SMILES
Canonical SMILES
SMILES: C1CN2CCC1C(C2)NC(=O)C3=CNC4=C(C3=O)SC=C4Isomeric SMILES
SMILES: C1CN2CCC1[C@H](C2)NC(=O)C3=CNC4=C(C3=O)SC=C4Synonyms(20)
Pumosetrag153062-94-3MKC-733DDP-7331G26B32139DTXSID70165211N-((3R)-1-Azabicyclo(2.2.2)oct-3-yl)-7-oxo-4,7-dihydrothieno(3,2-b)pyridine-6-carboxamidePUMOSETRAGUMRefChem:585229DTXCID3087702N-((3R)-1-azabicyclo(2.2.2)octan-3-yl)-7-oxo-4H,7H-thieno(3,2-b)pyridine-6-carboxamidePumosetrag [INN]CHEMBL1643880DDP 733UNII-1G26B32139
Data from PubChem (NCBI)
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