1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone

C207H223F11N8O27 — CID 157247696

IUPAC1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone
SMILESCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1CCO.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CC(O)CO.CCCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC[C@@H](O)Cn1c(C(C)(C)C)cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CC[C@H](O)Cn1c(C(C)(C)C)cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc21.COc1ccc(C2(C(=O)Cc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1.COc1cccc(C2(C(=O)Cc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)c1
InChIInChI=1S/C28H32FNO4.C28H33NO4.C27H31NO5.C26H26F3NO4.C26H26F3NO3.C24H22F3NO3.C24H26FNO2.C24H27NO2/c1-5-20(31)15-30-22-14-21(29)17(10-18(22)11-25(30)27(2,3)4)12-26(32)28(8-9-28)19-6-7-23-24(13-19)34-16-33-23;1-5-21(30)16-29-22-8-6-18(12-19(22)14-25(29)27(2,3)4)13-26(31)28(10-11-28)20-7-9-23-24(15-20)33-17-32-23;1-26(2,3)24-12-18-10-17(4-6-21(18)28(24)14-20(30)15-29)11-25(31)27(8-9-27)19-5-7-22-23(13-19)33-16-32-22;1-24(2,3)22-11-16-10-15(18(27)14-19(16)30(22)8-9-31)12-23(32)25(6-7-25)17-4-5-20-21(13-17)34-26(28,29)33-20;1-4-7-24(2,3)22-11-16-10-15(18(27)14-19(16)30-22)12-23(31)25(8-9-25)17-5-6-20-21(13-17)33-26(28,29)32-20;1-22(2,3)20-9-14-8-13(16(25)12-17(14)28-20)10-21(29)23(6-7-23)15-4-5-18-19(11-15)31-24(26,27)30-18;1-23(2,3)21-11-16-10-15(19(25)14-20(16)26-21)12-22(27)24(8-9-24)17-6-5-7-18(13-17)28-4;1-23(2,3)21-15-17-13-16(5-10-20(17)25-21)14-22(26)24(11-12-24)18-6-8-19(27-4)9-7-18/h6-7,10-11,13-14,20,31H,5,8-9,12,15-16H2,1-4H3;6-9,12,14-15,21,30H,5,10-11,13,16-17H2,1-4H3;4-7,10,12-13,20,29-30H,8-9,11,14-16H2,1-3H3;4-5,10-11,13-14,31H,6-9,12H2,1-3H3;5-6,10-11,13-14,30H,4,7-9,12H2,1-3H3;4-5,8-9,11-12,28H,6-7,10H2,1-3H3;5-7,10-11,13-14,26H,8-9,12H2,1-4H3;5-10,13,15,25H,11-12,14H2,1-4H3/t20-;21-;;;;;;/m01....../s1
InChIKeyAVZARMHCJCAMFY-YRXQESCYSA-N
MW3464.07 g/mol
LogP42.89
Rot. Bonds48

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone (PubChem CID 157247696) has the molecular formula C207H223F11N8O27 and a molecular weight of 3464.07 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone
PubChem CID157247696
Molecular FormulaC207H223F11N8O27
Molecular Weight3464.07 g/mol
Exact Mass3461.61
IUPAC Name1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone
SMILESCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1CCO.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CC(O)CO.CCCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC[C@@H](O)Cn1c(C(C)(C)C)cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CC[C@H](O)Cn1c(C(C)(C)C)cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc21.COc1ccc(C2(C(=O)Cc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1.COc1cccc(C2(C(=O)Cc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)c1
InChIInChI=1S/C28H32FNO4.C28H33NO4.C27H31NO5.C26H26F3NO4.C26H26F3NO3.C24H22F3NO3.C24H26FNO2.C24H27NO2/c1-5-20(31)15-30-22-14-21(29)17(10-18(22)11-25(30)27(2,3)4)12-26(32)28(8-9-28)19-6-7-23-24(13-19)34-16-33-23;1-5-21(30)16-29-22-8-6-18(12-19(22)14-25(29)27(2,3)4)13-26(31)28(10-11-28)20-7-9-23-24(15-20)33-17-32-23;1-26(2,3)24-12-18-10-17(4-6-21(18)28(24)14-20(30)15-29)11-25(31)27(8-9-27)19-5-7-22-23(13-19)33-16-32-22;1-24(2,3)22-11-16-10-15(18(27)14-19(16)30(22)8-9-31)12-23(32)25(6-7-25)17-4-5-20-21(13-17)34-26(28,29)33-20;1-4-7-24(2,3)22-11-16-10-15(18(27)14-19(16)30-22)12-23(31)25(8-9-25)17-5-6-20-21(13-17)33-26(28,29)32-20;1-22(2,3)20-9-14-8-13(16(25)12-17(14)28-20)10-21(29)23(6-7-23)15-4-5-18-19(11-15)31-24(26,27)30-18;1-23(2,3)21-11-16-10-15(19(25)14-20(16)26-21)12-22(27)24(8-9-24)17-6-5-7-18(13-17)28-4;1-23(2,3)21-15-17-13-16(5-10-20(17)25-21)14-22(26)24(11-12-24)18-6-8-19(27-4)9-7-18/h6-7,10-11,13-14,20,31H,5,8-9,12,15-16H2,1-4H3;6-9,12,14-15,21,30H,5,10-11,13,16-17H2,1-4H3;4-7,10,12-13,20,29-30H,8-9,11,14-16H2,1-3H3;4-5,10-11,13-14,31H,6-9,12H2,1-3H3;5-6,10-11,13-14,30H,4,7-9,12H2,1-3H3;4-5,8-9,11-12,28H,6-7,10H2,1-3H3;5-7,10-11,13-14,26H,8-9,12H2,1-4H3;5-10,13,15,25H,11-12,14H2,1-4H3/t20-;21-;;;;;;/m01....../s1
InChIKeyAVZARMHCJCAMFY-YRXQESCYSA-N
XLogP42.89
TPSA449.81 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds48
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003464.07
LogP ≤ 542.89
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone with MolForge

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Related Compounds

1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-methylbutan-2-yl)indol-5-yl]ethanone
CID 58057295
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-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]ethanone
CID 58183258
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone
CID 58183275
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-[4-[(2S)-2,3-dihydroxypropoxy]-2-methylbutan-2-yl]-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]ethanone
CID 58183284
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
CID 58183300
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
CID 58201782
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-methylpentan-2-yl)indol-5-yl]ethanone
CID 58201792
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]ethanone
CID 58201799
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)indol-5-yl]ethanone
CID 58468334
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(2-methylbutan-2-yl)indol-5-yl]ethanone
CID 58478625
4-[2-Tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]butan-1-one
CID 90986374
2-[1-[(2R)-3-azido-2-hydroxypropyl]-2-tert-butylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;[(2R)-3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]-2-hydroxypropyl] 4-methylbenzenesulfonate
CID 91361352

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone (CID 157247696) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone is CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1CCO.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CC(O)CO.CCCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC[C@@H](O)Cn1c(C(C)(C)C)cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CC[C@H](O)Cn1c(C(C)(C)C)cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc21.COc1ccc(C2(C(=O)Cc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1.COc1cccc(C2(C(=O)Cc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)c1.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone?
The InChIKey is AVZARMHCJCAMFY-YRXQESCYSA-N. The full InChI is InChI=1S/C28H32FNO4.C28H33NO4.C27H31NO5.C26H26F3NO4.C26H26F3NO3.C24H22F3NO3.C24H26FNO2.C24H27NO2/c1-5-20(31)15-30-22-14-21(29)17(10-18(22)11-25(30)27(2,3)4)12-26(32)28(8-9-28)19-6-7-23-24(13-19)34-16-33-23;1-5-21(30)16-29-22-8-6-18(12-19(22)14-25(29)27(2,3)4)13-26(31)28(10-11-28)20-7-9-23-24(15-20)33-17-32-23;1-26(2,3)24-12-18-10-17(4-6-21(18)28(24)14-20(30)15-29)11-25(31)27(8-9-27)19-5-7-22-23(13-19)33-16-32-22;1-24(2,3)22-11-16-10-15(18(27)14-19(16)30(22)8-9-31)12-23(32)25(6-7-25)17-4-5-20-21(13-17)34-26(28,29)33-20;1-4-7-24(2,3)22-11-16-10-15(18(27)14-19(16)30-22)12-23(31)25(8-9-25)17-5-6-20-21(13-17)33-26(28,29)32-20;1-22(2,3)20-9-14-8-13(16(25)12-17(14)28-20)10-21(29)23(6-7-23)15-4-5-18-19(11-15)31-24(26,27)30-18;1-23(2,3)21-11-16-10-15(19(25)14-20(16)26-21)12-22(27)24(8-9-24)17-6-5-7-18(13-17)28-4;1-23(2,3)21-15-17-13-16(5-10-20(17)25-21)14-22(26)24(11-12-24)18-6-8-19(27-4)9-7-18/h6-7,10-11,13-14,20,31H,5,8-9,12,15-16H2,1-4H3;6-9,12,14-15,21,30H,5,10-11,13,16-17H2,1-4H3;4-7,10,12-13,20,29-30H,8-9,11,14-16H2,1-3H3;4-5,10-11,13-14,31H,6-9,12H2,1-3H3;5-6,10-11,13-14,30H,4,7-9,12H2,1-3H3;4-5,8-9,11-12,28H,6-7,10H2,1-3H3;5-7,10-11,13-14,26H,8-9,12H2,1-4H3;5-10,13,15,25H,11-12,14H2,1-4H3/t20-;21-;;;;;;/m01....../s1.
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone?
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone has a molecular weight of 3464.07 g/mol, XLogP of 42.89, 48 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-[(2S)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone is sourced from PubChem (CID 157247696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).