(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C153H190BBr2Cl4I2N12O30P2SSi4+ — CID 167568701

IUPAC(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCC(C)(C)OP(=O)(OC(C)(C)C)c1ccc(-c2ccc(-c3nc4nc(O[C@H]5CO[C@@H]6COC(c7ccccc7)O[C@H]6C5)n(COCC[Si](C)(C)C)c4cc3Cl)cc2)cc1.CC(C)(C)O[P+](=O)OC(C)(C)C.C[Si](C)(C)CCOCn1c(O[C@H]2CO[C@@H]3COC(c4ccccc4)O[C@H]3C2)nc2nc(-c3ccc(-c4ccc(Br)cc4)cc3)c(Cl)cc21.C[Si](C)(C)CCOCn1c(O[C@H]2CO[C@@H]3COC(c4ccccc4)O[C@H]3C2)nc2nc(I)c(Cl)cc21.C[Si](C)(C)CCOCn1c(S(C)(=O)=O)nc2nc(I)c(Cl)cc21.OB(O)c1ccc(-c2ccc(Br)cc2)cc1.O[C@H]1CO[C@@H]2COC(c3ccccc3)O[C@H]2C1
InChIInChI=1S/C45H57ClN3O8PSi.C37H39BrClN3O5Si.C25H31ClIN3O5Si.C13H19ClIN3O3SSi.C13H16O4.C12H10BBrO2.C8H18O3P/c1-44(2,3)56-58(50,57-45(4,5)6)35-21-19-31(20-22-35)30-15-17-32(18-16-30)40-36(46)26-37-41(47-40)48-43(49(37)29-51-23-24-59(7,8)9)54-34-25-38-39(52-27-34)28-53-42(55-38)33-13-11-10-12-14-33;1-48(2,3)18-17-43-23-42-31-20-30(39)34(26-11-9-24(10-12-26)25-13-15-28(38)16-14-25)40-35(31)41-37(42)46-29-19-32-33(44-21-29)22-45-36(47-32)27-7-5-4-6-8-27;1-36(2,3)10-9-31-15-30-19-12-18(26)22(27)28-23(19)29-25(30)34-17-11-20-21(32-13-17)14-33-24(35-20)16-7-5-4-6-8-16;1-22(19,20)13-17-12-10(7-9(14)11(15)16-12)18(13)8-21-5-6-23(2,3)4;14-10-6-11-12(15-7-10)8-16-13(17-11)9-4-2-1-3-5-9;14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16;1-7(2,3)10-12(9)11-8(4,5)6/h10-22,26,34,38-39,42H,23-25,27-29H2,1-9H3;4-16,20,29,32-33,36H,17-19,21-23H2,1-3H3;4-8,12,17,20-21,24H,9-11,13-15H2,1-3H3;7H,5-6,8H2,1-4H3;1-5,10-14H,6-8H2;1-8,15-16H;1-6H3/q;;;;;;+1/t34-,38+,39-,42?;29-,32+,33-,36?;17-,20+,21-,24?;;10-,11+,12-,13?;;/m111.1../s1
InChIKeyDMYJIBOHVOHZRD-QYIFOKAWSA-N
MW3449.86 g/mol
LogP35.35
Rot. Bonds42

About (4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 167568701) has the molecular formula C153H190BBr2Cl4I2N12O30P2SSi4+ and a molecular weight of 3449.86 g/mol. Its IUPAC name is (4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID167568701
Molecular FormulaC153H190BBr2Cl4I2N12O30P2SSi4+
Molecular Weight3449.86 g/mol
Exact Mass3443.73
IUPAC Name(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCC(C)(C)OP(=O)(OC(C)(C)C)c1ccc(-c2ccc(-c3nc4nc(O[C@H]5CO[C@@H]6COC(c7ccccc7)O[C@H]6C5)n(COCC[Si](C)(C)C)c4cc3Cl)cc2)cc1.CC(C)(C)O[P+](=O)OC(C)(C)C.C[Si](C)(C)CCOCn1c(O[C@H]2CO[C@@H]3COC(c4ccccc4)O[C@H]3C2)nc2nc(-c3ccc(-c4ccc(Br)cc4)cc3)c(Cl)cc21.C[Si](C)(C)CCOCn1c(O[C@H]2CO[C@@H]3COC(c4ccccc4)O[C@H]3C2)nc2nc(I)c(Cl)cc21.C[Si](C)(C)CCOCn1c(S(C)(=O)=O)nc2nc(I)c(Cl)cc21.OB(O)c1ccc(-c2ccc(Br)cc2)cc1.O[C@H]1CO[C@@H]2COC(c3ccccc3)O[C@H]2C1
InChIInChI=1S/C45H57ClN3O8PSi.C37H39BrClN3O5Si.C25H31ClIN3O5Si.C13H19ClIN3O3SSi.C13H16O4.C12H10BBrO2.C8H18O3P/c1-44(2,3)56-58(50,57-45(4,5)6)35-21-19-31(20-22-35)30-15-17-32(18-16-30)40-36(46)26-37-41(47-40)48-43(49(37)29-51-23-24-59(7,8)9)54-34-25-38-39(52-27-34)28-53-42(55-38)33-13-11-10-12-14-33;1-48(2,3)18-17-43-23-42-31-20-30(39)34(26-11-9-24(10-12-26)25-13-15-28(38)16-14-25)40-35(31)41-37(42)46-29-19-32-33(44-21-29)22-45-36(47-32)27-7-5-4-6-8-27;1-36(2,3)10-9-31-15-30-19-12-18(26)22(27)28-23(19)29-25(30)34-17-11-20-21(32-13-17)14-33-24(35-20)16-7-5-4-6-8-16;1-22(19,20)13-17-12-10(7-9(14)11(15)16-12)18(13)8-21-5-6-23(2,3)4;14-10-6-11-12(15-7-10)8-16-13(17-11)9-4-2-1-3-5-9;14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16;1-7(2,3)10-12(9)11-8(4,5)6/h10-22,26,34,38-39,42H,23-25,27-29H2,1-9H3;4-16,20,29,32-33,36H,17-19,21-23H2,1-3H3;4-8,12,17,20-21,24H,9-11,13-15H2,1-3H3;7H,5-6,8H2,1-4H3;1-5,10-14H,6-8H2;1-8,15-16H;1-6H3/q;;;;;;+1/t34-,38+,39-,42?;29-,32+,33-,36?;17-,20+,21-,24?;;10-,11+,12-,13?;;/m111.1../s1
InChIKeyDMYJIBOHVOHZRD-QYIFOKAWSA-N
XLogP35.35
TPSA464.10 Ų
H-Bond Donors3
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003449.86
LogP ≤ 535.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane with MolForge

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Related Compounds

2-[4-[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-yl]phenyl]ethyl-trimethylsilane
CID 140681615
(2R,3S,4R)-4-[6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2-[[ditert-butyl(hydroxy)silyl]oxymethyl]-3-methyloxolan-3-ol
CID 131743159
(3R,3aR,6R,6aR)-6-[5-(4-bromophenyl)-6-chloro-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3R,3aR,6R,6aR)-6-[6-chloro-5-[4-[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]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 158767411
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
1-[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]phenyl]ethanone
CID 162426127
6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine
CID 90041803
2-[[2-[2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethoxy]-6-chloro-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 141398619
(3R,3aR,6R,6aR)-6-[6-chloro-5-[4-[(methylidene-oxo-phenyl-λ6-sulfanyl)amino]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 123811827
(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
ethyl 4-[5-(4-bromophenyl)-6-chloro-1-prop-2-enylimidazo[4,5-b]pyridin-2-yl]oxypiperidine-1-carboxylate
CID 123692632
2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-4,6-difluoro-5-iodo-2H-imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 140680084
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

Frequently Asked Questions

What is the IUPAC name of (4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of (4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 167568701) is (4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for (4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for (4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is CC(C)(C)OP(=O)(OC(C)(C)C)c1ccc(-c2ccc(-c3nc4nc(O[C@H]5CO[C@@H]6COC(c7ccccc7)O[C@H]6C5)n(COCC[Si](C)(C)C)c4cc3Cl)cc2)cc1.CC(C)(C)O[P+](=O)OC(C)(C)C.C[Si](C)(C)CCOCn1c(O[C@H]2CO[C@@H]3COC(c4ccccc4)O[C@H]3C2)nc2nc(-c3ccc(-c4ccc(Br)cc4)cc3)c(Cl)cc21.C[Si](C)(C)CCOCn1c(O[C@H]2CO[C@@H]3COC(c4ccccc4)O[C@H]3C2)nc2nc(I)c(Cl)cc21.C[Si](C)(C)CCOCn1c(S(C)(=O)=O)nc2nc(I)c(Cl)cc21.OB(O)c1ccc(-c2ccc(Br)cc2)cc1.O[C@H]1CO[C@@H]2COC(c3ccccc3)O[C@H]2C1.
What is the InChIKey of (4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is DMYJIBOHVOHZRD-QYIFOKAWSA-N. The full InChI is InChI=1S/C45H57ClN3O8PSi.C37H39BrClN3O5Si.C25H31ClIN3O5Si.C13H19ClIN3O3SSi.C13H16O4.C12H10BBrO2.C8H18O3P/c1-44(2,3)56-58(50,57-45(4,5)6)35-21-19-31(20-22-35)30-15-17-32(18-16-30)40-36(46)26-37-41(47-40)48-43(49(37)29-51-23-24-59(7,8)9)54-34-25-38-39(52-27-34)28-53-42(55-38)33-13-11-10-12-14-33;1-48(2,3)18-17-43-23-42-31-20-30(39)34(26-11-9-24(10-12-26)25-13-15-28(38)16-14-25)40-35(31)41-37(42)46-29-19-32-33(44-21-29)22-45-36(47-32)27-7-5-4-6-8-27;1-36(2,3)10-9-31-15-30-19-12-18(26)22(27)28-23(19)29-25(30)34-17-11-20-21(32-13-17)14-33-24(35-20)16-7-5-4-6-8-16;1-22(19,20)13-17-12-10(7-9(14)11(15)16-12)18(13)8-21-5-6-23(2,3)4;14-10-6-11-12(15-7-10)8-16-13(17-11)9-4-2-1-3-5-9;14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16;1-7(2,3)10-12(9)11-8(4,5)6/h10-22,26,34,38-39,42H,23-25,27-29H2,1-9H3;4-16,20,29,32-33,36H,17-19,21-23H2,1-3H3;4-8,12,17,20-21,24H,9-11,13-15H2,1-3H3;7H,5-6,8H2,1-4H3;1-5,10-14H,6-8H2;1-8,15-16H;1-6H3/q;;;;;;+1/t34-,38+,39-,42?;29-,32+,33-,36?;17-,20+,21-,24?;;10-,11+,12-,13?;;/m111.1../s1.
What are the key properties of (4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 3449.86 g/mol, XLogP of 35.35, 42 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]phenyl]phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-5-[4-(4-bromophenyl)phenyl]-6-chloroimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[2-[[(4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-6-chloro-5-iodoimidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;bis[(2-methylpropan-2-yl)oxy]-oxophosphanium;[4-(4-bromophenyl)phenyl]boronic acid;2-[(6-chloro-5-iodo-2-methylsulfonylimidazo[4,5-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 167568701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).