sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite

C216H243BBr4Cl7IN15NaO43S8Si4 — CID 167690807

IUPACsodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite
SMILESBrc1ccc(-c2ccccc2)cc1.C.C.CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2nc(I)c(Cl)cc2n1COCC[Si](C)(C)C.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3ccc(-c4nc5nc(O[C@@H]6CO[C@H]7[C@@H]6OC[C@H]7O[Si](C)(C)C(C)(C)C)n(COCC[Si](C)(C)C)c5cc4Cl)cc3)cc2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)cc1.COc1ccc(CNCc2ccc(OC)cc2)cc1.NS(=O)(=O)c1ccc(-c2ccc(-c3nc4nc(O[C@@H]5CO[C@H]6[C@@H]5OC[C@H]6O)[nH]c4cc3Cl)cc2)cc1.O=N[O-].O=S(=O)(Cl)c1ccc(-c2ccc(Br)cc2)cc1.O=S(=O)(O)Cl.O=S(=O)(O)c1ccc(-c2ccc(Br)cc2)cc1.O=S(Cl)Cl.[Na+]
InChIInChI=1S/C52H65ClN4O9SSi2.C34H38BNO6S.C28H26BrNO4S.C24H39ClIN3O5Si2.C24H21ClN4O6S.C16H19NO2.C12H8BrClO2S.C12H9BrO3S.C12H9Br.2CH4.Cl2OS.ClHO3S.HNO2.Na/c1-52(2,3)69(9,10)66-46-33-64-48-45(32-63-49(46)48)65-51-55-50-44(57(51)34-62-27-28-68(6,7)8)29-43(53)47(54-50)39-17-15-37(16-18-39)38-19-25-42(26-20-38)67(58,59)56(30-35-11-21-40(60-4)22-12-35)31-36-13-23-41(61-5)24-14-36;1-33(2)34(3,4)42-35(41-33)29-15-11-27(12-16-29)28-13-21-32(22-14-28)43(37,38)36(23-25-7-17-30(39-5)18-8-25)24-26-9-19-31(40-6)20-10-26;1-33-26-13-3-21(4-14-26)19-30(20-22-5-15-27(34-2)16-6-22)35(31,32)28-17-9-24(10-18-28)23-7-11-25(29)12-8-23;1-24(2,3)36(7,8)34-18-13-32-19-17(12-31-20(18)19)33-23-28-22-16(11-15(25)21(26)27-22)29(23)14-30-9-10-35(4,5)6;25-16-9-17-23(29-24(27-17)35-19-11-34-21-18(30)10-33-22(19)21)28-20(16)14-3-1-12(2-4-14)13-5-7-15(8-6-13)36(26,31)32;1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14;2*13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;;;1-4(2)3;1-5(2,3)4;2-1-3;/h11-26,29,45-46,48-49H,27-28,30-34H2,1-10H3;7-22H,23-24H2,1-6H3;3-18H,19-20H2,1-2H3;11,17-20H,9-10,12-14H2,1-8H3;1-9,18-19,21-22,30H,10-11H2,(H2,26,31,32)(H,27,28,29);3-10,17H,11-12H2,1-2H3;1-8H;1-8H,(H,14,15,16);1-9H;2*1H4;;(H,2,3,4);(H,2,3);/q;;;;;;;;;;;;;;+1/p-1/t45-,46-,48-,49-;;;17-,18-,19-,20-;18-,19-,21-,22-;;;;;;;;;;/m1..11........../s1
InChIKeyWXJWHZBVVNAWEB-WDFMZJIUSA-M
MW4834.76 g/mol
LogP46.21
Rot. Bonds63

About sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite

sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite (PubChem CID 167690807) has the molecular formula C216H243BBr4Cl7IN15NaO43S8Si4 and a molecular weight of 4834.76 g/mol. Its IUPAC name is sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite.

Molecular Properties

Compound Namesodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite
PubChem CID167690807
Molecular FormulaC216H243BBr4Cl7IN15NaO43S8Si4
Molecular Weight4834.76 g/mol
Exact Mass4823.77
IUPAC Namesodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite
SMILESBrc1ccc(-c2ccccc2)cc1.C.C.CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2nc(I)c(Cl)cc2n1COCC[Si](C)(C)C.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3ccc(-c4nc5nc(O[C@@H]6CO[C@H]7[C@@H]6OC[C@H]7O[Si](C)(C)C(C)(C)C)n(COCC[Si](C)(C)C)c5cc4Cl)cc3)cc2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)cc1.COc1ccc(CNCc2ccc(OC)cc2)cc1.NS(=O)(=O)c1ccc(-c2ccc(-c3nc4nc(O[C@@H]5CO[C@H]6[C@@H]5OC[C@H]6O)[nH]c4cc3Cl)cc2)cc1.O=N[O-].O=S(=O)(Cl)c1ccc(-c2ccc(Br)cc2)cc1.O=S(=O)(O)Cl.O=S(=O)(O)c1ccc(-c2ccc(Br)cc2)cc1.O=S(Cl)Cl.[Na+]
InChIInChI=1S/C52H65ClN4O9SSi2.C34H38BNO6S.C28H26BrNO4S.C24H39ClIN3O5Si2.C24H21ClN4O6S.C16H19NO2.C12H8BrClO2S.C12H9BrO3S.C12H9Br.2CH4.Cl2OS.ClHO3S.HNO2.Na/c1-52(2,3)69(9,10)66-46-33-64-48-45(32-63-49(46)48)65-51-55-50-44(57(51)34-62-27-28-68(6,7)8)29-43(53)47(54-50)39-17-15-37(16-18-39)38-19-25-42(26-20-38)67(58,59)56(30-35-11-21-40(60-4)22-12-35)31-36-13-23-41(61-5)24-14-36;1-33(2)34(3,4)42-35(41-33)29-15-11-27(12-16-29)28-13-21-32(22-14-28)43(37,38)36(23-25-7-17-30(39-5)18-8-25)24-26-9-19-31(40-6)20-10-26;1-33-26-13-3-21(4-14-26)19-30(20-22-5-15-27(34-2)16-6-22)35(31,32)28-17-9-24(10-18-28)23-7-11-25(29)12-8-23;1-24(2,3)36(7,8)34-18-13-32-19-17(12-31-20(18)19)33-23-28-22-16(11-15(25)21(26)27-22)29(23)14-30-9-10-35(4,5)6;25-16-9-17-23(29-24(27-17)35-19-11-34-21-18(30)10-33-22(19)21)28-20(16)14-3-1-12(2-4-14)13-5-7-15(8-6-13)36(26,31)32;1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14;2*13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;;;1-4(2)3;1-5(2,3)4;2-1-3;/h11-26,29,45-46,48-49H,27-28,30-34H2,1-10H3;7-22H,23-24H2,1-6H3;3-18H,19-20H2,1-2H3;11,17-20H,9-10,12-14H2,1-8H3;1-9,18-19,21-22,30H,10-11H2,(H2,26,31,32)(H,27,28,29);3-10,17H,11-12H2,1-2H3;1-8H;1-8H,(H,14,15,16);1-9H;2*1H4;;(H,2,3,4);(H,2,3);/q;;;;;;;;;;;;;;+1/p-1/t45-,46-,48-,49-;;;17-,18-,19-,20-;18-,19-,21-,22-;;;;;;;;;;/m1..11........../s1
InChIKeyWXJWHZBVVNAWEB-WDFMZJIUSA-M
XLogP46.21
TPSA732.28 Ų
H-Bond Donors6
H-Bond Acceptors51
Rotatable Bonds63
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004834.76
LogP ≤ 546.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1051

Analyze sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite with MolForge

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Related Compounds

2-[[4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 162426207
(3R,6R,6aR)-6-[[5-[4-[4-(aminomethyl)phenyl]phenyl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 145017322
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-[4-[(dimethylamino-methyl-oxo-λ6-sulfanylidene)amino]phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118863940
N-[4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]phenyl]methanesulfonamide
CID 165117302
4-[4-[2-[[(3R,3aR,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]-3-(methoxymethoxy)benzamide
CID 174023808
(3R,3aS,6S,6aS)-6-[[6-chloro-5-[4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118424609
6-[[6-chloro-5-[4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 123765691
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-(4-chlorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 90067556
2-[[5-bromo-2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]cyclohexen-1-yl]phenyl]-2-[(3R,5R)-5-ethyl-4,4-difluorooxolan-3-yl]oxy-6-fluoroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[(2R,4R)-4-[[5-[4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]cyclohexen-1-yl]phenyl]-6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-3,3-difluorooxolan-2-yl]methanol;dimethyl-oxo-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohex-3-en-1-yl]imino-λ6-sulfane
CID 159265922
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118424674
(3R,3aR,6R,6aR)-6-[6-chloro-5-[4-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 123461013
2-[[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-dimethylsilanylium
CID 163821889

Frequently Asked Questions

What is the IUPAC name of sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite?
The IUPAC name of sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite (CID 167690807) is sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite.
What is the SMILES notation for sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite?
The canonical SMILES for sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite is Brc1ccc(-c2ccccc2)cc1.C.C.CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2nc(I)c(Cl)cc2n1COCC[Si](C)(C)C.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3ccc(-c4nc5nc(O[C@@H]6CO[C@H]7[C@@H]6OC[C@H]7O[Si](C)(C)C(C)(C)C)n(COCC[Si](C)(C)C)c5cc4Cl)cc3)cc2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)cc1.COc1ccc(CNCc2ccc(OC)cc2)cc1.NS(=O)(=O)c1ccc(-c2ccc(-c3nc4nc(O[C@@H]5CO[C@H]6[C@@H]5OC[C@H]6O)[nH]c4cc3Cl)cc2)cc1.O=N[O-].O=S(=O)(Cl)c1ccc(-c2ccc(Br)cc2)cc1.O=S(=O)(O)Cl.O=S(=O)(O)c1ccc(-c2ccc(Br)cc2)cc1.O=S(Cl)Cl.[Na+].
What is the InChIKey of sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite?
The InChIKey is WXJWHZBVVNAWEB-WDFMZJIUSA-M. The full InChI is InChI=1S/C52H65ClN4O9SSi2.C34H38BNO6S.C28H26BrNO4S.C24H39ClIN3O5Si2.C24H21ClN4O6S.C16H19NO2.C12H8BrClO2S.C12H9BrO3S.C12H9Br.2CH4.Cl2OS.ClHO3S.HNO2.Na/c1-52(2,3)69(9,10)66-46-33-64-48-45(32-63-49(46)48)65-51-55-50-44(57(51)34-62-27-28-68(6,7)8)29-43(53)47(54-50)39-17-15-37(16-18-39)38-19-25-42(26-20-38)67(58,59)56(30-35-11-21-40(60-4)22-12-35)31-36-13-23-41(61-5)24-14-36;1-33(2)34(3,4)42-35(41-33)29-15-11-27(12-16-29)28-13-21-32(22-14-28)43(37,38)36(23-25-7-17-30(39-5)18-8-25)24-26-9-19-31(40-6)20-10-26;1-33-26-13-3-21(4-14-26)19-30(20-22-5-15-27(34-2)16-6-22)35(31,32)28-17-9-24(10-18-28)23-7-11-25(29)12-8-23;1-24(2,3)36(7,8)34-18-13-32-19-17(12-31-20(18)19)33-23-28-22-16(11-15(25)21(26)27-22)29(23)14-30-9-10-35(4,5)6;25-16-9-17-23(29-24(27-17)35-19-11-34-21-18(30)10-33-22(19)21)28-20(16)14-3-1-12(2-4-14)13-5-7-15(8-6-13)36(26,31)32;1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14;2*13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;;;1-4(2)3;1-5(2,3)4;2-1-3;/h11-26,29,45-46,48-49H,27-28,30-34H2,1-10H3;7-22H,23-24H2,1-6H3;3-18H,19-20H2,1-2H3;11,17-20H,9-10,12-14H2,1-8H3;1-9,18-19,21-22,30H,10-11H2,(H2,26,31,32)(H,27,28,29);3-10,17H,11-12H2,1-2H3;1-8H;1-8H,(H,14,15,16);1-9H;2*1H4;;(H,2,3,4);(H,2,3);/q;;;;;;;;;;;;;;+1/p-1/t45-,46-,48-,49-;;;17-,18-,19-,20-;18-,19-,21-,22-;;;;;;;;;;/m1..11........../s1.
What are the key properties of sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite?
sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite has a molecular weight of 4834.76 g/mol, XLogP of 46.21, 63 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;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]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[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-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-chloro-1H-imidazo[4,5-b]pyridin-5-yl]phenyl]benzenesulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;1-bromo-4-phenylbenzene;4-(4-bromophenyl)benzenesulfonic acid;4-(4-bromophenyl)benzenesulfonyl chloride;4-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide;methane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;sulfurochloridic acid;thionyl dichloride;nitrite is sourced from PubChem (CID 167690807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).