6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane

C170H239F4IN20O25SSi4Sn — CID 158097551

IUPAC6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane
SMILESC.C.C.CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C4)nn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OCc3ccccc3)C4)nn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c([Sn](C)(C)C)nn(C3CCCCO3)c2c1.CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C4)nn(C3CCCCO3)c2c1.COC(=O)[C@@H]1Cc2nc(I)n(COCC[Si](C)(C)C)c2CN1C(=O)OC(C)(C)C.S
InChIInChI=1S/C46H58FN5O6Si.C40H54FN5O6Si.C38H50FN5O7Si.C21H22FN2O.C19H32IN3O5Si.3CH4.3CH3.H2S.Sn/c1-9-32-23-30(2)36(47)25-35(32)33-18-19-34-38(24-33)52(41-17-13-14-20-56-41)49-42(34)43-48-37-26-39(44(53)57-28-31-15-11-10-12-16-31)50(45(54)58-46(3,4)5)27-40(37)51(43)29-55-21-22-59(6,7)8;1-10-26-19-25(2)30(41)21-29(26)27-14-15-28-32(20-27)46(35-13-11-12-16-51-35)43-36(28)37-42-31-22-33(38(47)49-6)44(39(48)52-40(3,4)5)23-34(31)45(37)24-50-17-18-53(7,8)9;1-8-23-18-32(45)27(39)19-26(23)24-12-13-25-29(17-24)44(33-11-9-10-14-50-33)41-34(25)35-40-28-20-30(36(46)47)42(37(48)51-38(2,3)4)21-31(28)43(35)22-49-15-16-52(5,6)7;1-3-15-10-14(2)19(22)12-18(15)16-7-8-17-13-23-24(20(17)11-16)21-6-4-5-9-25-21;1-19(2,3)28-18(25)22-11-15-13(10-14(22)16(24)26-4)21-17(20)23(15)12-27-8-9-29(5,6)7;;;;;;;;/h10-12,15-16,18-19,23-25,39,41H,9,13-14,17,20-22,26-29H2,1-8H3;14-15,19-21,33,35H,10-13,16-18,22-24H2,1-9H3;12-13,17-19,30,33,45H,8-11,14-16,20-22H2,1-7H3,(H,46,47);7-8,10-12,21H,3-6,9H2,1-2H3;14H,8-12H2,1-7H3;3*1H4;3*1H3;1H2;/t39-,41?;33-,35?;30-,33?;;14-;;;;;;;;/m000.0......../s1
InChIKeyFOVUNIMDERUXSG-YLDROJCASA-N
MW3428.91 g/mol
LogP37.76
Rot. Bonds42

About 6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane

6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane (PubChem CID 158097551) has the molecular formula C170H239F4IN20O25SSi4Sn and a molecular weight of 3428.91 g/mol. Its IUPAC name is 6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane.

Molecular Properties

Compound Name6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane
PubChem CID158097551
Molecular FormulaC170H239F4IN20O25SSi4Sn
Molecular Weight3428.91 g/mol
Exact Mass3427.48
IUPAC Name6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane
SMILESC.C.C.CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C4)nn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OCc3ccccc3)C4)nn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c([Sn](C)(C)C)nn(C3CCCCO3)c2c1.CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C4)nn(C3CCCCO3)c2c1.COC(=O)[C@@H]1Cc2nc(I)n(COCC[Si](C)(C)C)c2CN1C(=O)OC(C)(C)C.S
InChIInChI=1S/C46H58FN5O6Si.C40H54FN5O6Si.C38H50FN5O7Si.C21H22FN2O.C19H32IN3O5Si.3CH4.3CH3.H2S.Sn/c1-9-32-23-30(2)36(47)25-35(32)33-18-19-34-38(24-33)52(41-17-13-14-20-56-41)49-42(34)43-48-37-26-39(44(53)57-28-31-15-11-10-12-16-31)50(45(54)58-46(3,4)5)27-40(37)51(43)29-55-21-22-59(6,7)8;1-10-26-19-25(2)30(41)21-29(26)27-14-15-28-32(20-27)46(35-13-11-12-16-51-35)43-36(28)37-42-31-22-33(38(47)49-6)44(39(48)52-40(3,4)5)23-34(31)45(37)24-50-17-18-53(7,8)9;1-8-23-18-32(45)27(39)19-26(23)24-12-13-25-29(17-24)44(33-11-9-10-14-50-33)41-34(25)35-40-28-20-30(36(46)47)42(37(48)51-38(2,3)4)21-31(28)43(35)22-49-15-16-52(5,6)7;1-3-15-10-14(2)19(22)12-18(15)16-7-8-17-13-23-24(20(17)11-16)21-6-4-5-9-25-21;1-19(2,3)28-18(25)22-11-15-13(10-14(22)16(24)26-4)21-17(20)23(15)12-27-8-9-29(5,6)7;;;;;;;;/h10-12,15-16,18-19,23-25,39,41H,9,13-14,17,20-22,26-29H2,1-8H3;14-15,19-21,33,35H,10-13,16-18,22-24H2,1-9H3;12-13,17-19,30,33,45H,8-11,14-16,20-22H2,1-7H3,(H,46,47);7-8,10-12,21H,3-6,9H2,1-2H3;14H,8-12H2,1-7H3;3*1H4;3*1H3;1H2;/t39-,41?;33-,35?;30-,33?;;14-;;;;;;;;/m000.0......../s1
InChIKeyFOVUNIMDERUXSG-YLDROJCASA-N
XLogP37.76
TPSA470.99 Ų
H-Bond Donors2
H-Bond Acceptors40
Rotatable Bonds42
Heavy Atoms226
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003428.91
LogP ≤ 537.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane?
The IUPAC name of 6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane (CID 158097551) is 6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane.
What is the SMILES notation for 6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane?
The canonical SMILES for 6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane is C.C.C.CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OC)C4)nn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)[C@H](C(=O)OCc3ccccc3)C4)nn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c([Sn](C)(C)C)nn(C3CCCCO3)c2c1.CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C4)nn(C3CCCCO3)c2c1.COC(=O)[C@@H]1Cc2nc(I)n(COCC[Si](C)(C)C)c2CN1C(=O)OC(C)(C)C.S.
What is the InChIKey of 6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane?
The InChIKey is FOVUNIMDERUXSG-YLDROJCASA-N. The full InChI is InChI=1S/C46H58FN5O6Si.C40H54FN5O6Si.C38H50FN5O7Si.C21H22FN2O.C19H32IN3O5Si.3CH4.3CH3.H2S.Sn/c1-9-32-23-30(2)36(47)25-35(32)33-18-19-34-38(24-33)52(41-17-13-14-20-56-41)49-42(34)43-48-37-26-39(44(53)57-28-31-15-11-10-12-16-31)50(45(54)58-46(3,4)5)27-40(37)51(43)29-55-21-22-59(6,7)8;1-10-26-19-25(2)30(41)21-29(26)27-14-15-28-32(20-27)46(35-13-11-12-16-51-35)43-36(28)37-42-31-22-33(38(47)49-6)44(39(48)52-40(3,4)5)23-34(31)45(37)24-50-17-18-53(7,8)9;1-8-23-18-32(45)27(39)19-26(23)24-12-13-25-29(17-24)44(33-11-9-10-14-50-33)41-34(25)35-40-28-20-30(36(46)47)42(37(48)51-38(2,3)4)21-31(28)43(35)22-49-15-16-52(5,6)7;1-3-15-10-14(2)19(22)12-18(15)16-7-8-17-13-23-24(20(17)11-16)21-6-4-5-9-25-21;1-19(2,3)28-18(25)22-11-15-13(10-14(22)16(24)26-4)21-17(20)23(15)12-27-8-9-29(5,6)7;;;;;;;;/h10-12,15-16,18-19,23-25,39,41H,9,13-14,17,20-22,26-29H2,1-8H3;14-15,19-21,33,35H,10-13,16-18,22-24H2,1-9H3;12-13,17-19,30,33,45H,8-11,14-16,20-22H2,1-7H3,(H,46,47);7-8,10-12,21H,3-6,9H2,1-2H3;14H,8-12H2,1-7H3;3*1H4;3*1H3;1H2;/t39-,41?;33-,35?;30-,33?;;14-;;;;;;;;/m000.0......../s1.
What are the key properties of 6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane?
6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane has a molecular weight of 3428.91 g/mol, XLogP of 37.76, 42 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-benzyl 5-O-tert-butyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;5-O-tert-butyl 6-O-methyl (6S)-2-iodo-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5,6-dicarboxylate;(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-3-yl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;methane;sulfane is sourced from PubChem (CID 158097551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).