Jnj-61393215
[(1S,4R,6R)-3,3-dideuterio-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
Molecular Identity
Jnj-61393215
[(1S,4R,6R)-3,3-dideuterio-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
PubChem CID: 139030979
2D Structure
Properties
C23H18F4N4O2
Molecular Formula
460.40
Molecular Weight
g/mol
460.1491
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
68.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
9
H-Bond Acceptors
704
Complexity
SMILES
Canonical SMILES
SMILES: C1C2CC(C1N(C2)C(=O)C3=C(C(=CC=C3)F)C4=NC=CC=N4)OC5=NC=C(C=C5)C(F)(F)FIsomeric SMILES
SMILES: [2H]C1([C@@H]2C[C@H](N1C(=O)C3=C(C(=CC=C3)F)C4=NC=CC=N4)[C@@H](C2)OC5=NC=C(C=C5)C(F)(F)F)[2H]Synonyms(20)
JNJ-61393215RefChem:1087900Tebideutorexant1637681-55-0Tebideutorexant [INN]DQ7SMA8TWV[(1S,4R,6R)-3,3-dideuterio-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone(3-Fluoro-2-(2-pyrimidinyl)phenyl)((1S,4R,6R)-6-((5-(trifluoromethyl)-2-pyridinyl)oxy)-2-azabicyclo(2.2.1)hept-2-yl-3,3-d2)methanone(3-Fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4R,6R)-6-((5-(trifluoromethyl)pyridin-2-yl)oxy)(3,3-2H2)-2-azabicyclo(2.2.1)heptan-2-yl)methanone[3-Fluoro-2-(2-pyrimidinyl)phenyl][(1S,4R,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]hept-2-yl-3,3-d2]methanone[3-fluoro-2-(pyrimidin-2-yl)phenyl][(1S,4R,6R)-6-{[5-(trifluoromethyl)pyridin-2-yl]oxy}(3,3-2H2)-2-azabicyclo[2.2.1]heptan-2-yl]methanoneMethanone, (3-fluoro-2-(2-pyrimidinyl)phenyl)((1S,4R,6R)-6-((5-(trifluoromethyl)-2-pyridinyl)oxy)-2-azabicyclo(2.2.1)hept-2-yl-3,3-d2)-Methanone, [3-fluoro-2-(2-pyrimidinyl)phenyl][(1S,4R,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]hept-2-yl-3,3-d2]-UNII-DQ7SMA8TWVorb1739148
Data from PubChem (NCBI)
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