Account (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
- Catalog No. :
- ACEHBB753
- CAS No. :
- 1517965-94-4
- Molecular Formula :
- C23H22FN7O2
- Molecular Weight :
- 447.47
IUPAC Name:(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
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C23H22FN7O2 |
| Molecular Weight | 447.47 |
| SMILES | C(=O)(C1=C(C=CC(C)=C1)N2N=CC=N2)N3[C@H](CN4N=C(C=C4)C5=CC=C(F)C=N5)OCCC3 |
| InChI Key | AEZZJXJIJFSUEM-QFIPXVFZSA-N |
| Synonym | ORN-0829;TS-142;Vornorexant;Vornorexant(TS-142);Methanone, [(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]- |
| CAS No. | 1517965-94-4 |
| PubChem CID | 137419776 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACEHBB753 Molecular Building Block Synthetic Route
(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)
4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
ACDNEY033