Orn-0829 hydrate
tetrakis([(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone);hydrate
Molecular Identity
Orn-0829 hydrate
tetrakis([(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone);hydrate
PubChem CID: 154572855
2D Structure
Properties
C92H90F4N28O9
Molecular Formula
1807.90
Molecular Weight
g/mol
1806.7382
Exact Mass
Da
365
TPSA
May have limited oral absorption
1
H-Bond Donors
29
H-Bond Acceptors
667
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCOC3CN4C=CC(=N4)C5=NC=C(C=C5)F.CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCOC3CN4C=CC(=N4)C5=NC=C(C=C5)F.CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCOC3CN4C=CC(=N4)C5=NC=C(C=C5)F.CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCOC3CN4C=CC(=N4)C5=NC=C(C=C5)F.OIsomeric SMILES
SMILES: CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCO[C@H]3CN4C=CC(=N4)C5=NC=C(C=C5)F.CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCO[C@H]3CN4C=CC(=N4)C5=NC=C(C=C5)F.CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCO[C@H]3CN4C=CC(=N4)C5=NC=C(C=C5)F.CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCCO[C@H]3CN4C=CC(=N4)C5=NC=C(C=C5)F.OSynonyms(13)
ORN0829 hydrateORN-0829 hydrateO67SLE6VA32265899-50-9Methanone, ((2S)-2-((3-(5-fluoro-2-pyridinyl)-1H-pyrazol-1-yl)methyl)dihydro-2H-1,3-oxazin-3(4H)-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)-, hydrate (4:1)Ts-142RefChem:168554orexin receptor antagonist TS-142UNII-O67SLE6VA31793073-93-4Vornorexant hydrate (JAN)D12611(S)-(2-((3-(5-FLuoropyridin-2-yl)-1H-pyrazol-1-yl)methyl)-1,3-oxazinan-3-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone hydrate(4:1)
Data from PubChem (NCBI)
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