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

C211H235F7N8O28 — CID 159172678

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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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)OCO5)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(C)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.Cc1cc2c(cc1CC(=O)C1(c3ccc4c(c3)OC(F)(F)O4)CC1)cc(C(C)(C)C)n2CCO
InChIInChI=1S/C29H35NO4.C28H33NO4.C27H29F2NO4.C27H31NO5.C26H26F3NO3.C26H28FNO4.C24H26FNO2.C24H27NO2/c1-6-22(31)16-30-23-11-18(2)19(12-20(23)13-26(30)28(3,4)5)14-27(32)29(9-10-29)21-7-8-24-25(15-21)34-17-33-24;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;1-16-11-20-18(13-23(25(2,3)4)30(20)9-10-31)12-17(16)14-24(32)26(7-8-26)19-5-6-21-22(15-19)34-27(28,29)33-21;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;1-4-7-24(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;1-25(2,3)23-11-17-10-16(19(27)14-20(17)28(23)8-9-29)12-24(30)26(6-7-26)18-4-5-21-22(13-18)32-15-31-21;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/h7-8,11-13,15,22,31H,6,9-10,14,16-17H2,1-5H3;6-9,12,14-15,21,30H,5,10-11,13,16-17H2,1-4H3;5-6,11-13,15,31H,7-10,14H2,1-4H3;4-7,10,12-13,20,29-30H,8-9,11,14-16H2,1-3H3;5-6,10-11,13-14,30H,4,7-9,12H2,1-3H3;4-5,10-11,13-14,29H,6-9,12,15H2,1-3H3;5-7,10-11,13-14,26H,8-9,12H2,1-4H3;5-10,13,15,25H,11-12,14H2,1-4H3/t22-;21-;;;;;;/m01....../s1
InChIKeyKLWTXHVDMJQVJL-HKWKYRBSSA-N
MW3464.21 g/mol
LogP42.11
Rot. Bonds50

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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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 159172678) has the molecular formula C211H235F7N8O28 and a molecular weight of 3464.21 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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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 CID159172678
Molecular FormulaC211H235F7N8O28
Molecular Weight3464.21 g/mol
Exact Mass3461.71
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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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)OCO5)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(C)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.Cc1cc2c(cc1CC(=O)C1(c3ccc4c(c3)OC(F)(F)O4)CC1)cc(C(C)(C)C)n2CCO
InChIInChI=1S/C29H35NO4.C28H33NO4.C27H29F2NO4.C27H31NO5.C26H26F3NO3.C26H28FNO4.C24H26FNO2.C24H27NO2/c1-6-22(31)16-30-23-11-18(2)19(12-20(23)13-26(30)28(3,4)5)14-27(32)29(9-10-29)21-7-8-24-25(15-21)34-17-33-24;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;1-16-11-20-18(13-23(25(2,3)4)30(20)9-10-31)12-17(16)14-24(32)26(7-8-26)19-5-6-21-22(15-19)34-27(28,29)33-21;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;1-4-7-24(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;1-25(2,3)23-11-17-10-16(19(27)14-20(17)28(23)8-9-29)12-24(30)26(6-7-26)18-4-5-21-22(13-18)32-15-31-21;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/h7-8,11-13,15,22,31H,6,9-10,14,16-17H2,1-5H3;6-9,12,14-15,21,30H,5,10-11,13,16-17H2,1-4H3;5-6,11-13,15,31H,7-10,14H2,1-4H3;4-7,10,12-13,20,29-30H,8-9,11,14-16H2,1-3H3;5-6,10-11,13-14,30H,4,7-9,12H2,1-3H3;4-5,10-11,13-14,29H,6-9,12,15H2,1-3H3;5-7,10-11,13-14,26H,8-9,12H2,1-4H3;5-10,13,15,25H,11-12,14H2,1-4H3/t22-;21-;;;;;;/m01....../s1
InChIKeyKLWTXHVDMJQVJL-HKWKYRBSSA-N
XLogP42.11
TPSA459.18 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds50
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003464.21
LogP ≤ 542.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

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

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
(2R)-1-[5-amino-6-fluoro-2-(2-methyl-1-phenylmethoxypropan-2-yl)indol-1-yl]-3-phenylmethoxypropan-2-ol;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride;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 123498248
2-[1-[(2S)-3-amino-2-hydroxypropyl]-2-tert-butylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[1-[(2R)-3-azido-2-hydroxypropyl]-2-tert-butylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;methane
CID 157086600
bis(2-[2-tert-butyl-1-(2-chloroethyl)-2,3-dihydroindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2,3-dihydroindol-1-yl]propanenitrile;3-[2-tert-butyl-5-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]indol-1-yl]propanoic acid;bis(2-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone);bis(2-chloroacetaldehyde);methanol
CID 157117769
CID 157131302
CID 157131302
CID 157141053
CID 157141053
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-phenylcyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide;molecular hydrogen
CID 157171039
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-5-yl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]ethanone;2-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]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-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone
CID 157189335
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide
CID 157241702
(2R)-1-[5-amino-6-fluoro-2-(2-methyl-1-phenylmethoxypropan-2-yl)indol-1-yl]-3-phenylmethoxypropan-2-ol;bis(1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl chloride);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-[6-fluoro-1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-2-(2-methyl-1-phenylmethoxypropan-2-yl)indol-5-yl]ethanone;methane;sulfuryl dichloride
CID 157246229
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
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(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 157257932

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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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 159172678) 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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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)OCO5)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(C)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.Cc1cc2c(cc1CC(=O)C1(c3ccc4c(c3)OC(F)(F)O4)CC1)cc(C(C)(C)C)n2CCO.
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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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 KLWTXHVDMJQVJL-HKWKYRBSSA-N. The full InChI is InChI=1S/C29H35NO4.C28H33NO4.C27H29F2NO4.C27H31NO5.C26H26F3NO3.C26H28FNO4.C24H26FNO2.C24H27NO2/c1-6-22(31)16-30-23-11-18(2)19(12-20(23)13-26(30)28(3,4)5)14-27(32)29(9-10-29)21-7-8-24-25(15-21)34-17-33-24;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;1-16-11-20-18(13-23(25(2,3)4)30(20)9-10-31)12-17(16)14-24(32)26(7-8-26)19-5-6-21-22(15-19)34-27(28,29)33-21;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;1-4-7-24(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;1-25(2,3)23-11-17-10-16(19(27)14-20(17)28(23)8-9-29)12-24(30)26(6-7-26)18-4-5-21-22(13-18)32-15-31-21;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/h7-8,11-13,15,22,31H,6,9-10,14,16-17H2,1-5H3;6-9,12,14-15,21,30H,5,10-11,13,16-17H2,1-4H3;5-6,11-13,15,31H,7-10,14H2,1-4H3;4-7,10,12-13,20,29-30H,8-9,11,14-16H2,1-3H3;5-6,10-11,13-14,30H,4,7-9,12H2,1-3H3;4-5,10-11,13-14,29H,6-9,12,15H2,1-3H3;5-7,10-11,13-14,26H,8-9,12H2,1-4H3;5-10,13,15,25H,11-12,14H2,1-4H3/t22-;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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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 3464.21 g/mol, XLogP of 42.11, 50 rotatable bonds, 9 hydrogen bond donors, and 33 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-(2-hydroxyethyl)indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2S)-2-hydroxybutyl]-6-methylindol-5-yl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-[2-tert-butyl-1-(2-hydroxyethyl)-6-methylindol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)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 159172678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).