About (2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine
(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine (PubChem CID 161239776) has the molecular formula C103H111F25N20O20S5
and a molecular weight of 2584.43 g/mol. Its IUPAC name is (2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine.
Frequently Asked Questions
What is the IUPAC name of (2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine?
The IUPAC name of (2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine (CID 161239776) is (2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine.
What is the SMILES notation for (2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine?
The canonical SMILES for (2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine is Cc1c2c(nn1S(=O)(=O)C1CO1)CN([C@@H]1C[C@H](N)[C@@H](c3cc(F)ccc3F)O[C@@H]1C(F)(F)F)C2.Cc1c2c(nn1S(=O)(=O)C1COC1)CN([C@@H]1C[C@H](N)[C@@H](c3cc(F)ccc3F)O[C@@H]1C(F)(F)F)C2.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCOC4)nc3C2)[C@@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CCOCC4)nc3C2)[C@@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CO4)nc3C2)[C@@H](C(F)(F)F)O[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of (2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine?
The InChIKey is UZVPFVVQSOTZJK-VJLMYSIFSA-N. The full InChI is InChI=1S/C22H25F5N4O4S.2C21H23F5N4O4S.C20H21F5N4O4S.C19H19F5N4O4S/c23-13-1-2-16(24)15(7-13)20-17(28)8-19(21(35-20)22(25,26)27)30-9-12-10-31(29-18(12)11-30)36(32,33)14-3-5-34-6-4-14;1-10-14-6-29(7-17(14)28-30(10)35(31,32)12-8-33-9-12)18-5-16(27)19(34-20(18)21(24,25)26)13-4-11(22)2-3-15(13)23;22-12-1-2-15(23)14(5-12)19-16(27)6-18(20(34-19)21(24,25)26)29-7-11-8-30(28-17(11)9-29)35(31,32)13-3-4-33-10-13;1-9-12-6-28(7-15(12)27-29(9)34(30,31)17-8-32-17)16-5-14(26)18(33-19(16)20(23,24)25)11-4-10(21)2-3-13(11)22;20-10-1-2-12(21)11(3-10)17-13(25)4-15(18(32-17)19(22,23)24)27-5-9-6-28(26-14(9)7-27)33(29,30)16-8-31-16/h1-2,7,10,14,17,19-21H,3-6,8-9,11,28H2;2-4,12,16,18-20H,5-9,27H2,1H3;1-2,5,8,13,16,18-20H,3-4,6-7,9-10,27H2;2-4,14,16-19H,5-8,26H2,1H3;1-3,6,13,15-18H,4-5,7-8,25H2/t17-,19+,20+,21-;16-,18+,19+,20-;13?,16-,18+,19+,20-;14-,16+,17?,18+,19-;13-,15+,16?,17+,18-/m00000/s1.
What are the key properties of (2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine?
(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine has a molecular weight of 2584.43 g/mol, XLogP of 10.91, 20 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxetan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[3-methyl-2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxan-4-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxiran-2-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine;(2R,3S,5R,6S)-2-(2,5-difluorophenyl)-5-[2-(oxolan-3-ylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-(trifluoromethyl)oxan-3-amine is sourced from PubChem (CID 161239776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).