About 2-azaspiro[3.3]heptane;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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptane;bis(2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane);1,1,1-trifluoropropane
2-azaspiro[3.3]heptane;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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptane;bis(2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane);1,1,1-trifluoropropane (PubChem CID 159610557) has the molecular formula C128H181Cl4F18N21O13Si2
and a molecular weight of 2761.94 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptane;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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptane;bis(2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane);1,1,1-trifluoropropane.
Frequently Asked Questions
What is the IUPAC name of 2-azaspiro[3.3]heptane;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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptane;bis(2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane);1,1,1-trifluoropropane?
The IUPAC name of 2-azaspiro[3.3]heptane;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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptane;bis(2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane);1,1,1-trifluoropropane (CID 159610557) is 2-azaspiro[3.3]heptane;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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptane;bis(2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane);1,1,1-trifluoropropane.
What is the SMILES notation for 2-azaspiro[3.3]heptane;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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptane;bis(2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane);1,1,1-trifluoropropane?
The canonical SMILES for 2-azaspiro[3.3]heptane;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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptane;bis(2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane);1,1,1-trifluoropropane is C1CC2(C1)CNC2.CCC(F)(F)F.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4(CN(CC(F)(F)F)C4)C3)n2)c1.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(N2CC3(CN(CC(F)(F)F)C3)C2)c1C.FC(F)(F)CN1CC2(CCC2)C1.FC(F)(F)CN1CC2(CNC2)C1.FC(F)(F)CN1CC2(CNC2)C1.
What is the InChIKey of 2-azaspiro[3.3]heptane;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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptane;bis(2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane);1,1,1-trifluoropropane?
The InChIKey is MMQGPRZPYHIPOP-SBLTVHRASA-N. The full InChI is InChI=1S/C38H54ClF3N6O5Si.C31H44Cl2N4O5Si.C28H33ClF3N5O3.C8H12F3N.2C7H11F3N2.C6H11N.C3H5F3/c1-23-31(30-24(2)45-52-25(30)3)43-32(44-33(23)48-20-37(21-48)18-47(19-37)22-38(40,41)42)28-15-26(13-14-29(28)39)50-17-27(53-54(11,12)36(7,8)9)16-46(10)34(49)51-35(4,5)6;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;1-5-6-19(38)10-39-20-7-8-22(29)21(9-20)25-33-24(23-17(3)35-40-18(23)4)16(2)26(34-25)37-13-27(14-37)11-36(12-27)15-28(30,31)32;9-8(10,11)6-12-4-7(5-12)2-1-3-7;2*8-7(9,10)5-12-3-6(4-12)1-11-2-6;1-2-6(3-1)4-7-5-6;1-2-3(4,5)6/h13-15,27H,16-22H2,1-12H3;13-15,22H,16-17H2,1-12H3;7-9,19,38H,5-6,10-15H2,1-4H3;1-6H2;2*11H,1-5H2;7H,1-5H2;2H2,1H3/t27-;22-;19-;;;;;/m111...../s1.
What are the key properties of 2-azaspiro[3.3]heptane;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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptane;bis(2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane);1,1,1-trifluoropropane?
2-azaspiro[3.3]heptane;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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptane;bis(2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane);1,1,1-trifluoropropane has a molecular weight of 2761.94 g/mol, XLogP of 28.63, 32 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.3]heptane;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-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;(2R)-1-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[6-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidin-2-yl]phenoxy]pentan-2-ol;2-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptane;bis(2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane);1,1,1-trifluoropropane is sourced from PubChem (CID 159610557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).