About [(3R,3aR,6R,6aS)-3-[5-bromo-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-2,6-difluorophenyl]-6-fluoroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenol;[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenyl] trifluoromethanesulfonate;methane
[(3R,3aR,6R,6aS)-3-[5-bromo-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-2,6-difluorophenyl]-6-fluoroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenol;[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenyl] trifluoromethanesulfonate;methane (PubChem CID 159992463) has the molecular formula C124H177BrF13N13O25S2Si8
and a molecular weight of 2865.55 g/mol. Its IUPAC name is [(3R,3aR,6R,6aS)-3-[5-bromo-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-2,6-difluorophenyl]-6-fluoroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenol;[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenyl] trifluoromethanesulfonate;methane.
Frequently Asked Questions
What is the IUPAC name of [(3R,3aR,6R,6aS)-3-[5-bromo-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-2,6-difluorophenyl]-6-fluoroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenol;[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenyl] trifluoromethanesulfonate;methane?
The IUPAC name of [(3R,3aR,6R,6aS)-3-[5-bromo-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-2,6-difluorophenyl]-6-fluoroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenol;[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenyl] trifluoromethanesulfonate;methane (CID 159992463) is [(3R,3aR,6R,6aS)-3-[5-bromo-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-2,6-difluorophenyl]-6-fluoroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenol;[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenyl] trifluoromethanesulfonate;methane.
What is the SMILES notation for [(3R,3aR,6R,6aS)-3-[5-bromo-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-2,6-difluorophenyl]-6-fluoroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenol;[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenyl] trifluoromethanesulfonate;methane?
The canonical SMILES for [(3R,3aR,6R,6aS)-3-[5-bromo-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-2,6-difluorophenyl]-6-fluoroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenol;[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenyl] trifluoromethanesulfonate;methane is C.CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2cc(F)c(-c3c(F)cc(-c4ccc(N=S(C)(C)=O)cc4)cc3F)nc2n1COCC[Si](C)(C)C.CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2cc(F)c(-c3c(F)cc(O)cc3F)nc2n1COCC[Si](C)(C)C.CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2cc(F)c(-c3c(F)cc(OS(=O)(=O)C(F)(F)F)cc3F)nc2n1COCC[Si](C)(C)C.CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2cc(F)c(Br)nc2n1COCC[Si](C)(C)C.
What is the InChIKey of [(3R,3aR,6R,6aS)-3-[5-bromo-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-2,6-difluorophenyl]-6-fluoroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenol;[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenyl] trifluoromethanesulfonate;methane?
The InChIKey is OHCUWQAQIYHKGM-SVJGANQUSA-N. The full InChI is InChI=1S/C38H51F3N4O6SSi2.C31H41F6N3O8SSi2.C30H42F3N3O6Si2.C24H39BrFN3O5Si2.CH4/c1-38(2,3)54(9,10)51-31-21-49-34-30(20-48-35(31)34)50-37-42-29-19-28(41)33(43-36(29)45(37)22-47-15-16-53(6,7)8)32-26(39)17-24(18-27(32)40)23-11-13-25(14-12-23)44-52(4,5)46;1-30(2,3)51(7,8)48-23-15-45-26-22(14-44-27(23)26)46-29-38-21-13-20(34)25(39-28(21)40(29)16-43-9-10-50(4,5)6)24-18(32)11-17(12-19(24)33)47-49(41,42)31(35,36)37;1-30(2,3)44(7,8)42-23-15-40-26-22(14-39-27(23)26)41-29-34-21-13-20(33)25(24-18(31)11-17(37)12-19(24)32)35-28(21)36(29)16-38-9-10-43(4,5)6;1-24(2,3)36(7,8)34-18-13-32-19-17(12-31-20(18)19)33-23-27-16-11-15(26)21(25)28-22(16)29(23)14-30-9-10-35(4,5)6;/h11-14,17-19,30-31,34-35H,15-16,20-22H2,1-10H3;11-13,22-23,26-27H,9-10,14-16H2,1-8H3;11-13,22-23,26-27,37H,9-10,14-16H2,1-8H3;11,17-20H,9-10,12-14H2,1-8H3;1H4/t30-,31-,34-,35-;2*22-,23-,26-,27-;17-,18-,19-,20-;/m1111./s1.
What are the key properties of [(3R,3aR,6R,6aS)-3-[5-bromo-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-2,6-difluorophenyl]-6-fluoroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenol;[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenyl] trifluoromethanesulfonate;methane?
[(3R,3aR,6R,6aS)-3-[5-bromo-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-2,6-difluorophenyl]-6-fluoroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenol;[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenyl] trifluoromethanesulfonate;methane has a molecular weight of 2865.55 g/mol, XLogP of 28.47, 43 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,6R,6aS)-3-[5-bromo-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-tert-butyl-dimethylsilane;2-[[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]-2,6-difluorophenyl]-6-fluoroimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenol;[4-[2-[[(3R,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-fluoro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]-3,5-difluorophenyl] trifluoromethanesulfonate;methane is sourced from PubChem (CID 159992463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).