tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride

C207H283Cl8N40O26Si4+ — CID 159779555

About tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride

tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride (PubChem CID 159779555) has the molecular formula C207H283Cl8N40O26Si4+ and a molecular weight of 4143.76 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride
• PubChem CID: 159779555
• Molecular Formula: C207H283Cl8N40O26Si4+
• Molecular Weight: 4143.76 g/mol
• Exact Mass: 4136.86
• IUPAC Name: tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride
• SMILES: CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4c(C)n(C)[n+](C)c4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4nn(C)c(C)c4C3)n2)c1.Cc1[nH]nc2c1CNC2.Cc1nn(C)c2c1CN(c1nc(-c3cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc3Cl)nc(-c3c(C)noc3C)c1C)C2.Cc1noc(C)c1-c1nc(-c2cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc2Cl)nc(Cl)c1C.Cc1noc(C)c1-c1nc(-c2cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc2Cl)nc(N2Cc3n[nH]c(C)c3C2)c1C.Cc1noc(C)c1-c1nc(-c2cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc2Cl)nc(N2Cc3nn(C)c(C)c3C2)c1C.Cl
• InChI: InChI=1S/2C38H54ClN7O5Si.C37H52ClN7O5Si.C31H44Cl2N4O5Si.C29H36ClN6O3.C28H33ClN6O3.C6H9N3.ClH/c1-22-33(32-23(2)43-50-25(32)4)40-34(41-35(22)46-19-29-24(3)45(12)42-31(29)20-46)28-17-26(15-16-30(28)39)48-21-27(51-52(13,14)38(8,9)10)18-44(11)36(47)49-37(5,6)7;1-22-33(32-24(3)43-50-25(32)4)40-34(41-35(22)46-19-29-23(2)42-45(12)31(29)20-46)28-17-26(15-16-30(28)39)48-21-27(51-52(13,14)38(8,9)10)18-44(11)36(47)49-37(5,6)7;1-21-32(31-23(3)43-49-24(31)4)39-33(40-34(21)45-18-28-22(2)41-42-30(28)19-45)27-16-25(14-15-29(27)38)47-20-26(50-51(12,13)37(8,9)10)17-44(11)35(46)48-36(5,6)7;1-18-26(25-19(2)36-41-20(25)3)34-28(35-27(18)33)23-15-21(13-14-24(23)32)39-17-22(42-43(11,12)31(7,8)9)16-37(10)29(38)40-30(4,5)6;1-8-9-20(37)15-38-21-10-11-24(30)22(12-21)28-31-27(26-17(3)33-39-19(26)5)16(2)29(32-28)36-13-23-18(4)34(6)35(7)25(23)14-36;1-7-8-19(36)14-37-20-9-10-23(29)21(11-20)27-30-26(25-16(3)33-38-18(25)5)15(2)28(31-27)35-12-22-17(4)34(6)32-24(22)13-35;1-4-5-2-7-3-6(5)9-8-4;/h2*15-17,27H,18-21H2,1-14H3;14-16,26H,17-20H2,1-13H3,(H,41,42);13-15,22H,16-17H2,1-12H3;10-12,20,37H,8-9,13-15H2,1-7H3;9-11,19,36H,7-8,12-14H2,1-6H3;7H,2-3H2,1H3,(H,8,9);1H/q;;;;+1;;;/t2*27-;26-;22-;20-;19-;;/m111111../s1
• InChIKey: GIQULFHCQZALIH-FHXRYZTASA-N
• XLogP: 45.51
• TPSA: 709.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 59
• Rotatable Bonds: 55
• Heavy Atoms: 285
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4143.76
LogP ≤ 5	45.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	59

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride?

The IUPAC name of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride (CID 159779555) is tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride.

What is the SMILES notation for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride?

The canonical SMILES for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride is CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4c(C)n(C)[n+](C)c4C3)n2)c1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3Cc4nn(C)c(C)c4C3)n2)c1.Cc1[nH]nc2c1CNC2.Cc1nn(C)c2c1CN(c1nc(-c3cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc3Cl)nc(-c3c(C)noc3C)c1C)C2.Cc1noc(C)c1-c1nc(-c2cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc2Cl)nc(Cl)c1C.Cc1noc(C)c1-c1nc(-c2cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc2Cl)nc(N2Cc3n[nH]c(C)c3C2)c1C.Cc1noc(C)c1-c1nc(-c2cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc2Cl)nc(N2Cc3nn(C)c(C)c3C2)c1C.Cl.

What is the InChIKey of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride?

The InChIKey is GIQULFHCQZALIH-FHXRYZTASA-N. The full InChI is InChI=1S/2C38H54ClN7O5Si.C37H52ClN7O5Si.C31H44Cl2N4O5Si.C29H36ClN6O3.C28H33ClN6O3.C6H9N3.ClH/c1-22-33(32-23(2)43-50-25(32)4)40-34(41-35(22)46-19-29-24(3)45(12)42-31(29)20-46)28-17-26(15-16-30(28)39)48-21-27(51-52(13,14)38(8,9)10)18-44(11)36(47)49-37(5,6)7;1-22-33(32-24(3)43-50-25(32)4)40-34(41-35(22)46-19-29-23(2)42-45(12)31(29)20-46)28-17-26(15-16-30(28)39)48-21-27(51-52(13,14)38(8,9)10)18-44(11)36(47)49-37(5,6)7;1-21-32(31-23(3)43-49-24(31)4)39-33(40-34(21)45-18-28-22(2)41-42-30(28)19-45)27-16-25(14-15-29(27)38)47-20-26(50-51(12,13)37(8,9)10)17-44(11)35(46)48-36(5,6)7;1-18-26(25-19(2)36-41-20(25)3)34-28(35-27(18)33)23-15-21(13-14-24(23)32)39-17-22(42-43(11,12)31(7,8)9)16-37(10)29(38)40-30(4,5)6;1-8-9-20(37)15-38-21-10-11-24(30)22(12-21)28-31-27(26-17(3)33-39-19(26)5)16(2)29(32-28)36-13-23-18(4)34(6)35(7)25(23)14-36;1-7-8-19(36)14-37-20-9-10-23(29)21(11-20)27-30-26(25-16(3)33-38-18(25)5)15(2)28(31-27)35-12-22-17(4)34(6)32-24(22)13-35;1-4-5-2-7-3-6(5)9-8-4;/h2*15-17,27H,18-21H2,1-14H3;14-16,26H,17-20H2,1-13H3,(H,41,42);13-15,22H,16-17H2,1-12H3;10-12,20,37H,8-9,13-15H2,1-7H3;9-11,19,36H,7-8,12-14H2,1-6H3;7H,2-3H2,1H3,(H,8,9);1H/q;;;;+1;;;/t2*27-;26-;22-;20-;19-;;/m111111../s1.

What are the key properties of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride?

tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride has a molecular weight of 4143.76 g/mol, XLogP of 45.51, 55 rotatable bonds, 5 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(1,3-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(1,2,3-trimethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-5-yl)pyrimidin-2-yl]phenoxy]pentan-2-ol;3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;hydrochloride is sourced from PubChem (CID 159779555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).