Umibecestat
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
Molecular Identity
Umibecestat
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID: 88602735
2D Structure
Properties
C19H15ClF7N5O2
Molecular Formula
513.80
Molecular Weight
g/mol
513.0802
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
12
H-Bond Acceptors
813
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Umibecestat1387560-01-1NVP-CNP520-NXACNP520-NXANVPCNP520NXAN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamideCNP520NXA4612B805452-Pyridinecarboxamide, N-(6-((3R,6R)-5-amino-3,6-dihydro-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl)-5-fluoro-2-pyridinyl)-3-chloro-5-(trifluoromethyl)-umibecestatumN-(6-((3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl)-5-fluoropyridin-2-yl)-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamideRefChem:933789Umibecestat [INN]Umibecestat [USAN]Umibecestat [USAN:INN]
Data from PubChem (NCBI)
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