1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite

C213H255FN16O47S2 — CID 165092023

IUPAC1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite
SMILESCC(C)(C)OC(=O)N1CCCC1c1ccc(-c2c3c4c(cccc4n2C(=O)OC(C)(C)C)C(=O)NOC3)cc1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(-c2c3c4c(cccc4n2C(=O)OC(C)(C)C)C(=O)NOC3)cc1.COC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c(C=O)c12.COC(=O)c1cccc2c1c(C=O)c(-c1ccc(C3CCCN3C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C.COC(=O)c1cccc2c1c(CO)c(-c1ccc(C3CCCN3C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C.COC(=O)c1cccc2c1c(COS(C)(=O)=O)c(-c1ccc(C3CCCN3C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C.COCc1c(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)n(C(=O)OC(C)(C)C)c2cccc(C(=O)OC)c12.CSF
InChIInChI=1S/C32H40N2O9S.C32H40N2O7.C31H38N2O7.C31H36N2O7.2C30H35N3O6.C26H28N2O5.CH3FS/c1-31(2,3)42-29(36)33-18-10-13-24(33)20-14-16-21(17-15-20)27-23(19-41-44(8,38)39)26-22(28(35)40-7)11-9-12-25(26)34(27)30(37)43-32(4,5)6;1-31(2,3)40-29(36)33-18-10-13-24(33)20-14-16-21(17-15-20)27-23(19-38-7)26-22(28(35)39-8)11-9-12-25(26)34(27)30(37)41-32(4,5)6;2*1-30(2,3)39-28(36)32-17-9-12-23(32)19-13-15-20(16-14-19)26-22(18-34)25-21(27(35)38-7)10-8-11-24(25)33(26)29(37)40-31(4,5)6;2*1-29(2,3)38-27(35)32-16-8-11-22(32)18-12-14-19(15-13-18)25-21-17-37-31-26(34)20-9-7-10-23(24(20)21)33(25)28(36)39-30(4,5)6;1-26(2,3)33-25(31)28-14-6-9-21(28)16-10-12-17(13-11-16)23-19(15-29)22-18(24(30)32-4)7-5-8-20(22)27-23;1-3-2/h9,11-12,14-17,24H,10,13,18-19H2,1-8H3;9,11-12,14-17,24H,10,13,18-19H2,1-8H3;8,10-11,13-16,23,34H,9,12,17-18H2,1-7H3;8,10-11,13-16,18,23H,9,12,17H2,1-7H3;2*7,9-10,12-15,22H,8,11,16-17H2,1-6H3,(H,31,34);5,7-8,10-13,15,21,27H,6,9,14H2,1-4H3;1H3/t;;;;22-;;;/m....0.../s1
InChIKeyWWHTWXGZZMFDME-OBFLPZCVSA-N
MW3874.58 g/mol
LogP46.14
Rot. Bonds27

About 1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite

1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite (PubChem CID 165092023) has the molecular formula C213H255FN16O47S2 and a molecular weight of 3874.58 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite
PubChem CID165092023
Molecular FormulaC213H255FN16O47S2
Molecular Weight3874.58 g/mol
Exact Mass3871.75
IUPAC Name1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite
SMILESCC(C)(C)OC(=O)N1CCCC1c1ccc(-c2c3c4c(cccc4n2C(=O)OC(C)(C)C)C(=O)NOC3)cc1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(-c2c3c4c(cccc4n2C(=O)OC(C)(C)C)C(=O)NOC3)cc1.COC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c(C=O)c12.COC(=O)c1cccc2c1c(C=O)c(-c1ccc(C3CCCN3C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C.COC(=O)c1cccc2c1c(CO)c(-c1ccc(C3CCCN3C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C.COC(=O)c1cccc2c1c(COS(C)(=O)=O)c(-c1ccc(C3CCCN3C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C.COCc1c(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)n(C(=O)OC(C)(C)C)c2cccc(C(=O)OC)c12.CSF
InChIInChI=1S/C32H40N2O9S.C32H40N2O7.C31H38N2O7.C31H36N2O7.2C30H35N3O6.C26H28N2O5.CH3FS/c1-31(2,3)42-29(36)33-18-10-13-24(33)20-14-16-21(17-15-20)27-23(19-41-44(8,38)39)26-22(28(35)40-7)11-9-12-25(26)34(27)30(37)43-32(4,5)6;1-31(2,3)40-29(36)33-18-10-13-24(33)20-14-16-21(17-15-20)27-23(19-38-7)26-22(28(35)39-8)11-9-12-25(26)34(27)30(37)41-32(4,5)6;2*1-30(2,3)39-28(36)32-17-9-12-23(32)19-13-15-20(16-14-19)26-22(18-34)25-21(27(35)38-7)10-8-11-24(25)33(26)29(37)40-31(4,5)6;2*1-29(2,3)38-27(35)32-16-8-11-22(32)18-12-14-19(15-13-18)25-21-17-37-31-26(34)20-9-7-10-23(24(20)21)33(25)28(36)39-30(4,5)6;1-26(2,3)33-25(31)28-14-6-9-21(28)16-10-12-17(13-11-16)23-19(15-29)22-18(24(30)32-4)7-5-8-20(22)27-23;1-3-2/h9,11-12,14-17,24H,10,13,18-19H2,1-8H3;9,11-12,14-17,24H,10,13,18-19H2,1-8H3;8,10-11,13-16,23,34H,9,12,17-18H2,1-7H3;8,10-11,13-16,18,23H,9,12,17H2,1-7H3;2*7,9-10,12-15,22H,8,11,16-17H2,1-6H3,(H,31,34);5,7-8,10-13,15,21,27H,6,9,14H2,1-4H3;1H3/t;;;;22-;;;/m....0.../s1
InChIKeyWWHTWXGZZMFDME-OBFLPZCVSA-N
XLogP46.14
TPSA725.08 Ų
H-Bond Donors4
H-Bond Acceptors54
Rotatable Bonds27
Heavy Atoms279
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003874.58
LogP ≤ 546.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1054

Analyze 1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite with MolForge

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Related Compounds

tert-butyl 4-[hydroxy(methoxy)methyl]-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1-carboxylate
CID 167060995
methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]-1H-indole-4-carboxylate
CID 155033966
tert-butyl 6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 6-fluoro-2-[4-[(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;1-O-tert-butyl 4-O-methyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-6-fluoro-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;6-fluoro-2-[4-[(2S)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;6-fluoro-2-[4-[(2R)-2-methylpyrrolidin-2-yl]phenyl]-11-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 165077018
2-[4-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]benzoic acid
CID 124964523
1-O-tert-butyl 4-O,6-O-dimethyl 3-[(1,3-dioxoinden-2-yl)oxymethyl]-2-phenylindole-1,4,6-tricarboxylate
CID 58585966
tert-butyl (2R)-2-(4-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 11536817
tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 53469483
4-[4-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]benzoic acid
CID 124941221
4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 86309421
1-O-tert-butyl 4-O-methyl 6-fluoro-3-formyl-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate
CID 164762317
tert-butyl 2-[3-ethyl-4-[3-[3-(2-methoxycarbonylphenoxy)-2-propylphenoxy]propoxy]phenyl]pyrrolidine-1-carboxylate;methanol
CID 142063902
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite?
The IUPAC name of 1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite (CID 165092023) is 1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite.
What is the SMILES notation for 1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite?
The canonical SMILES for 1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite is CC(C)(C)OC(=O)N1CCCC1c1ccc(-c2c3c4c(cccc4n2C(=O)OC(C)(C)C)C(=O)NOC3)cc1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(-c2c3c4c(cccc4n2C(=O)OC(C)(C)C)C(=O)NOC3)cc1.COC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4C(=O)OC(C)(C)C)cc3)c(C=O)c12.COC(=O)c1cccc2c1c(C=O)c(-c1ccc(C3CCCN3C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C.COC(=O)c1cccc2c1c(CO)c(-c1ccc(C3CCCN3C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C.COC(=O)c1cccc2c1c(COS(C)(=O)=O)c(-c1ccc(C3CCCN3C(=O)OC(C)(C)C)cc1)n2C(=O)OC(C)(C)C.COCc1c(-c2ccc(C3CCCN3C(=O)OC(C)(C)C)cc2)n(C(=O)OC(C)(C)C)c2cccc(C(=O)OC)c12.CSF.
What is the InChIKey of 1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite?
The InChIKey is WWHTWXGZZMFDME-OBFLPZCVSA-N. The full InChI is InChI=1S/C32H40N2O9S.C32H40N2O7.C31H38N2O7.C31H36N2O7.2C30H35N3O6.C26H28N2O5.CH3FS/c1-31(2,3)42-29(36)33-18-10-13-24(33)20-14-16-21(17-15-20)27-23(19-41-44(8,38)39)26-22(28(35)40-7)11-9-12-25(26)34(27)30(37)43-32(4,5)6;1-31(2,3)40-29(36)33-18-10-13-24(33)20-14-16-21(17-15-20)27-23(19-38-7)26-22(28(35)39-8)11-9-12-25(26)34(27)30(37)41-32(4,5)6;2*1-30(2,3)39-28(36)32-17-9-12-23(32)19-13-15-20(16-14-19)26-22(18-34)25-21(27(35)38-7)10-8-11-24(25)33(26)29(37)40-31(4,5)6;2*1-29(2,3)38-27(35)32-16-8-11-22(32)18-12-14-19(15-13-18)25-21-17-37-31-26(34)20-9-7-10-23(24(20)21)33(25)28(36)39-30(4,5)6;1-26(2,3)33-25(31)28-14-6-9-21(28)16-10-12-17(13-11-16)23-19(15-29)22-18(24(30)32-4)7-5-8-20(22)27-23;1-3-2/h9,11-12,14-17,24H,10,13,18-19H2,1-8H3;9,11-12,14-17,24H,10,13,18-19H2,1-8H3;8,10-11,13-16,23,34H,9,12,17-18H2,1-7H3;8,10-11,13-16,18,23H,9,12,17H2,1-7H3;2*7,9-10,12-15,22H,8,11,16-17H2,1-6H3,(H,31,34);5,7-8,10-13,15,21,27H,6,9,14H2,1-4H3;1H3/t;;;;22-;;;/m....0.../s1.
What are the key properties of 1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite?
1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite has a molecular weight of 3874.58 g/mol, XLogP of 46.14, 27 rotatable bonds, 4 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(hydroxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 3-(methoxymethyl)-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]indole-1,4-dicarboxylate;1-O-tert-butyl 4-O-methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-3-(methylsulfonyloxymethyl)indole-1,4-dicarboxylate;tert-butyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;tert-butyl 2-[4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-9-oxo-11-oxa-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-3-carboxylate;methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]-1H-indole-4-carboxylate;methyl thiohypofluorite is sourced from PubChem (CID 165092023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).