IUPAC Name: | 12-[(3R,4S)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaenedihydrochloride |
Description: | 8-((3R,4S)-4-Ethylpyrrolidin-3-yl)-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine Dihydrochloride is a useful intermediate in the preparation of Upadacitinib, a JAK1 inhibitor. |
Molecular Weight: | 255.33 + 2(36.46) |
Molecular Formula: | C14H17N5·2HCl |
Canonical SMILES: | CCC1CNCC1C2=CN=C3N2C4=C(NC=C4)N=C3.Cl.Cl |
InChI: | InChI=1S/C14H17N5.2ClH/c1-2-9-5-15-6-10(9)12-7-17-13-8-18-14-11(19(12)13)3-4-16-14/h3-4,7-10,15-16H,2,5-6H2,1H32*1H/t9-,10+/m1../s1 |
InChI Key: | LKVHWZCFMAQTFX-NKRBYZSKSA-N |
References: | Rozema, M. J., et al. Org. Process Res. Dev., PagesAhead of Print (2021). |
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