2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol

C186H213F13N12O48S — CID 157141053

IUPAC2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol
SMILESCC(C)(C(=O)OCc1ccccc1)c1cc2cc([N+](=O)[O-])c(F)cc2[nH]1.CC(C)(CO)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO.CC1(C)OC[C@@H](COC(=O)C(C)(C)c2cc3cc([N+](=O)[O-])c(F)cc3n2C[C@@H]2COC(C)(C)O2)O1.CC1(C)OC[C@@H](Cn2c(C(C)(C)C(=O)OCc3ccccc3)cc3cc([N+](=O)[O-])c(F)cc32)O1.CC1(C)OC[C@@H](Cn2c(C(C)(C)CO)cc3cc(CC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)c(F)cc32)O1.CC1(C)OC[C@@H](Cn2c(C(C)(C)CO)cc3cc(N)c(F)cc32)O1.CC1(C)OC[C@@H](Cn2c(C(C)(C)CO)cc3cc([N+](=O)[O-])c(F)cc32)O1.CCO.Cc1ccc(S(=O)(=O)O[C@@H]2COC(C)(C)O2)cc1.O=C(O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C30H32F3NO6.C27H28F3NO6.C25H27FN2O6.C24H31FN2O8.C19H17FN2O4.C18H23FN2O5.C18H25FN2O3.C12H16O5S.C11H8F2O4.C2H6O/c1-27(2,16-35)25-10-18-9-17(21(31)13-22(18)34(25)14-20-15-37-28(3,4)38-20)11-26(36)29(7-8-29)19-5-6-23-24(12-19)40-30(32,33)39-23;1-25(2,14-33)23-8-16-7-15(19(28)11-20(16)31(23)12-18(34)13-32)9-24(35)26(5-6-26)17-3-4-21-22(10-17)37-27(29,30)36-21;1-24(2,23(29)32-14-16-8-6-5-7-9-16)22-11-17-10-21(28(30)31)19(26)12-20(17)27(22)13-18-15-33-25(3,4)34-18;1-22(2,21(28)31-11-16-13-33-24(5,6)35-16)20-8-14-7-19(27(29)30)17(25)9-18(14)26(20)10-15-12-32-23(3,4)34-15;1-19(2,18(23)26-11-12-6-4-3-5-7-12)17-9-13-8-16(22(24)25)14(20)10-15(13)21-17;1-17(2,10-22)16-6-11-5-15(21(23)24)13(19)7-14(11)20(16)8-12-9-25-18(3,4)26-12;1-17(2,10-22)16-6-11-5-14(20)13(19)7-15(11)21(16)8-12-9-23-18(3,4)24-12;1-9-4-6-10(7-5-9)18(13,14)17-11-8-15-12(2,3)16-11;12-11(13)16-7-2-1-6(5-8(7)17-11)10(3-4-10)9(14)15;1-2-3/h5-6,9-10,12-13,20,35H,7-8,11,14-16H2,1-4H3;3-4,7-8,10-11,18,32-34H,5-6,9,12-14H2,1-2H3;5-12,18H,13-15H2,1-4H3;7-9,15-16H,10-13H2,1-6H3;3-10,21H,11H2,1-2H3;5-7,12,22H,8-10H2,1-4H3;5-7,12,22H,8-10,20H2,1-4H3;4-7,11H,8H2,1-3H3;1-2,5H,3-4H2,(H,14,15);3H,2H2,1H3/t20-;2*18-;15-,16-;;2*12-;11-;;/m1111.111../s1
InChIKeyAKEQPNZREIISPH-BPEADORWSA-N
MW3663.83 g/mol
LogP31.67
Rot. Bonds50

About 2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol

2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol (PubChem CID 157141053) has the molecular formula C186H213F13N12O48S and a molecular weight of 3663.83 g/mol. Its IUPAC name is 2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol.

Molecular Properties

Compound Name2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol
PubChem CID157141053
Molecular FormulaC186H213F13N12O48S
Molecular Weight3663.83 g/mol
Exact Mass3661.41
IUPAC Name2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol
SMILESCC(C)(C(=O)OCc1ccccc1)c1cc2cc([N+](=O)[O-])c(F)cc2[nH]1.CC(C)(CO)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO.CC1(C)OC[C@@H](COC(=O)C(C)(C)c2cc3cc([N+](=O)[O-])c(F)cc3n2C[C@@H]2COC(C)(C)O2)O1.CC1(C)OC[C@@H](Cn2c(C(C)(C)C(=O)OCc3ccccc3)cc3cc([N+](=O)[O-])c(F)cc32)O1.CC1(C)OC[C@@H](Cn2c(C(C)(C)CO)cc3cc(CC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)c(F)cc32)O1.CC1(C)OC[C@@H](Cn2c(C(C)(C)CO)cc3cc(N)c(F)cc32)O1.CC1(C)OC[C@@H](Cn2c(C(C)(C)CO)cc3cc([N+](=O)[O-])c(F)cc32)O1.CCO.Cc1ccc(S(=O)(=O)O[C@@H]2COC(C)(C)O2)cc1.O=C(O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C30H32F3NO6.C27H28F3NO6.C25H27FN2O6.C24H31FN2O8.C19H17FN2O4.C18H23FN2O5.C18H25FN2O3.C12H16O5S.C11H8F2O4.C2H6O/c1-27(2,16-35)25-10-18-9-17(21(31)13-22(18)34(25)14-20-15-37-28(3,4)38-20)11-26(36)29(7-8-29)19-5-6-23-24(12-19)40-30(32,33)39-23;1-25(2,14-33)23-8-16-7-15(19(28)11-20(16)31(23)12-18(34)13-32)9-24(35)26(5-6-26)17-3-4-21-22(10-17)37-27(29,30)36-21;1-24(2,23(29)32-14-16-8-6-5-7-9-16)22-11-17-10-21(28(30)31)19(26)12-20(17)27(22)13-18-15-33-25(3,4)34-18;1-22(2,21(28)31-11-16-13-33-24(5,6)35-16)20-8-14-7-19(27(29)30)17(25)9-18(14)26(20)10-15-12-32-23(3,4)34-15;1-19(2,18(23)26-11-12-6-4-3-5-7-12)17-9-13-8-16(22(24)25)14(20)10-15(13)21-17;1-17(2,10-22)16-6-11-5-15(21(23)24)13(19)7-14(11)20(16)8-12-9-25-18(3,4)26-12;1-17(2,10-22)16-6-11-5-14(20)13(19)7-15(11)21(16)8-12-9-23-18(3,4)24-12;1-9-4-6-10(7-5-9)18(13,14)17-11-8-15-12(2,3)16-11;12-11(13)16-7-2-1-6(5-8(7)17-11)10(3-4-10)9(14)15;1-2-3/h5-6,9-10,12-13,20,35H,7-8,11,14-16H2,1-4H3;3-4,7-8,10-11,18,32-34H,5-6,9,12-14H2,1-2H3;5-12,18H,13-15H2,1-4H3;7-9,15-16H,10-13H2,1-6H3;3-10,21H,11H2,1-2H3;5-7,12,22H,8-10H2,1-4H3;5-7,12,22H,8-10,20H2,1-4H3;4-7,11H,8H2,1-3H3;1-2,5H,3-4H2,(H,14,15);3H,2H2,1H3/t20-;2*18-;15-,16-;;2*12-;11-;;/m1111.111../s1
InChIKeyAKEQPNZREIISPH-BPEADORWSA-N
XLogP31.67
TPSA763.87 Ų
H-Bond Donors10
H-Bond Acceptors54
Rotatable Bonds50
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003663.83
LogP ≤ 531.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1054

Analyze 2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol?
The IUPAC name of 2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol (CID 157141053) is 2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol.
What is the SMILES notation for 2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol?
The canonical SMILES for 2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol is CC(C)(C(=O)OCc1ccccc1)c1cc2cc([N+](=O)[O-])c(F)cc2[nH]1.CC(C)(CO)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO.CC1(C)OC[C@@H](COC(=O)C(C)(C)c2cc3cc([N+](=O)[O-])c(F)cc3n2C[C@@H]2COC(C)(C)O2)O1.CC1(C)OC[C@@H](Cn2c(C(C)(C)C(=O)OCc3ccccc3)cc3cc([N+](=O)[O-])c(F)cc32)O1.CC1(C)OC[C@@H](Cn2c(C(C)(C)CO)cc3cc(CC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)c(F)cc32)O1.CC1(C)OC[C@@H](Cn2c(C(C)(C)CO)cc3cc(N)c(F)cc32)O1.CC1(C)OC[C@@H](Cn2c(C(C)(C)CO)cc3cc([N+](=O)[O-])c(F)cc32)O1.CCO.Cc1ccc(S(=O)(=O)O[C@@H]2COC(C)(C)O2)cc1.O=C(O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.
What is the InChIKey of 2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol?
The InChIKey is AKEQPNZREIISPH-BPEADORWSA-N. The full InChI is InChI=1S/C30H32F3NO6.C27H28F3NO6.C25H27FN2O6.C24H31FN2O8.C19H17FN2O4.C18H23FN2O5.C18H25FN2O3.C12H16O5S.C11H8F2O4.C2H6O/c1-27(2,16-35)25-10-18-9-17(21(31)13-22(18)34(25)14-20-15-37-28(3,4)38-20)11-26(36)29(7-8-29)19-5-6-23-24(12-19)40-30(32,33)39-23;1-25(2,14-33)23-8-16-7-15(19(28)11-20(16)31(23)12-18(34)13-32)9-24(35)26(5-6-26)17-3-4-21-22(10-17)37-27(29,30)36-21;1-24(2,23(29)32-14-16-8-6-5-7-9-16)22-11-17-10-21(28(30)31)19(26)12-20(17)27(22)13-18-15-33-25(3,4)34-18;1-22(2,21(28)31-11-16-13-33-24(5,6)35-16)20-8-14-7-19(27(29)30)17(25)9-18(14)26(20)10-15-12-32-23(3,4)34-15;1-19(2,18(23)26-11-12-6-4-3-5-7-12)17-9-13-8-16(22(24)25)14(20)10-15(13)21-17;1-17(2,10-22)16-6-11-5-15(21(23)24)13(19)7-14(11)20(16)8-12-9-25-18(3,4)26-12;1-17(2,10-22)16-6-11-5-14(20)13(19)7-15(11)21(16)8-12-9-23-18(3,4)24-12;1-9-4-6-10(7-5-9)18(13,14)17-11-8-15-12(2,3)16-11;12-11(13)16-7-2-1-6(5-8(7)17-11)10(3-4-10)9(14)15;1-2-3/h5-6,9-10,12-13,20,35H,7-8,11,14-16H2,1-4H3;3-4,7-8,10-11,18,32-34H,5-6,9,12-14H2,1-2H3;5-12,18H,13-15H2,1-4H3;7-9,15-16H,10-13H2,1-6H3;3-10,21H,11H2,1-2H3;5-7,12,22H,8-10H2,1-4H3;5-7,12,22H,8-10,20H2,1-4H3;4-7,11H,8H2,1-3H3;1-2,5H,3-4H2,(H,14,15);3H,2H2,1H3/t20-;2*18-;15-,16-;;2*12-;11-;;/m1111.111../s1.
What are the key properties of 2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol?
2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol has a molecular weight of 3663.83 g/mol, XLogP of 31.67, 50 rotatable bonds, 10 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoroindol-2-yl]-2-methylpropan-1-ol;benzyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl] 4-methylbenzenesulfonate;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropanoate;2-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-5-nitroindol-2-yl]-2-methylpropan-1-ol;ethanol is sourced from PubChem (CID 157141053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).