Elinzanetant
N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
Molecular Identity
Elinzanetant
N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
PubChem CID: 16063568
2D Structure
Properties
C33H35F7N4O3
Molecular Formula
668.60
Molecular Weight
g/mol
668.2597
Exact Mass
Da
5.9
XLogP
Above Lipinski threshold
69.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
13
H-Bond Acceptors
1060
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC5COCCN5CC4COIsomeric SMILES
SMILES: CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4C[C@H]5COCCN5C[C@H]4COSynonyms(20)
Elinzanetant929046-33-3NT-814UNII-NZW2BOW35NBAY3427080NZW2BOW35NElinzanetant [INN]Elinzanetant [USAN]ELINZANETANT [WHO-DD]BAY-3427080N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamideNT814Compound A [WO2021094247A1]Example 34 [WO2007028654A1]Compound A (WO2021094247A1)
Data from PubChem (NCBI)
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