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

C176H187F6N7O24 — CID 157189335

IUPAC1-[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
SMILESCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@H](O)CO.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)ccc2[nH]1.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CCO.CCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COc1cccc(C2(C(=O)Cc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)c1
InChIInChI=1S/C27H29F2NO5.C26H28FNO4.C26H29NO4.C25H27NO3.C24H23F2NO3.C24H26FNO2.C24H25NO3/c1-25(2,3)23-12-17-10-16(4-6-20(17)30(23)14-19(32)15-31)11-24(33)26(8-9-26)18-5-7-21-22(13-18)35-27(28,29)34-21;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;1-25(2,3)23-14-18-12-17(4-6-20(18)27(23)10-11-28)13-24(29)26(8-9-26)19-5-7-21-22(15-19)31-16-30-21;1-4-24(2,3)22-13-17-11-16(5-7-19(17)26-22)12-23(27)25(9-10-25)18-6-8-20-21(14-18)29-15-28-20;1-22(2,3)20-12-15-10-14(4-6-17(15)27-20)11-21(28)23(8-9-23)16-5-7-18-19(13-16)30-24(25,26)29-18;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)21-12-16-10-15(4-6-18(16)25-21)11-22(26)24(8-9-24)17-5-7-19-20(13-17)28-14-27-19/h4-7,10,12-13,19,31-32H,8-9,11,14-15H2,1-3H3;4-5,10-11,13-14,29H,6-9,12,15H2,1-3H3;4-7,12,14-15,28H,8-11,13,16H2,1-3H3;5-8,11,13-14,26H,4,9-10,12,15H2,1-3H3;4-7,10,12-13,27H,8-9,11H2,1-3H3;5-7,10-11,13-14,26H,8-9,12H2,1-4H3;4-7,10,12-13,25H,8-9,11,14H2,1-3H3/t19-;;;;;;/m0....../s1
InChIKeyAPMWKTDCOHHREA-LSHSUXQKSA-N
MW2898.44 g/mol
LogP35.15
Rot. Bonds38

About 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

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 (PubChem CID 157189335) has the molecular formula C176H187F6N7O24 and a molecular weight of 2898.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157189335
Molecular FormulaC176H187F6N7O24
Molecular Weight2898.44 g/mol
Exact Mass2896.35
IUPAC Name1-[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
SMILESCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@H](O)CO.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)ccc2[nH]1.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CCO.CCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COc1cccc(C2(C(=O)Cc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)c1
InChIInChI=1S/C27H29F2NO5.C26H28FNO4.C26H29NO4.C25H27NO3.C24H23F2NO3.C24H26FNO2.C24H25NO3/c1-25(2,3)23-12-17-10-16(4-6-20(17)30(23)14-19(32)15-31)11-24(33)26(8-9-26)18-5-7-21-22(13-18)35-27(28,29)34-21;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;1-25(2,3)23-14-18-12-17(4-6-20(18)27(23)10-11-28)13-24(29)26(8-9-26)19-5-7-21-22(15-19)31-16-30-21;1-4-24(2,3)22-13-17-11-16(5-7-19(17)26-22)12-23(27)25(9-10-25)18-6-8-20-21(14-18)29-15-28-20;1-22(2,3)20-12-15-10-14(4-6-17(15)27-20)11-21(28)23(8-9-23)16-5-7-18-19(13-16)30-24(25,26)29-18;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)21-12-16-10-15(4-6-18(16)25-21)11-22(26)24(8-9-24)17-5-7-19-20(13-17)28-14-27-19/h4-7,10,12-13,19,31-32H,8-9,11,14-15H2,1-3H3;4-5,10-11,13-14,29H,6-9,12,15H2,1-3H3;4-7,12,14-15,28H,8-11,13,16H2,1-3H3;5-8,11,13-14,26H,4,9-10,12,15H2,1-3H3;4-7,10,12-13,27H,8-9,11H2,1-3H3;5-7,10-11,13-14,26H,8-9,12H2,1-4H3;4-7,10,12-13,25H,8-9,11,14H2,1-3H3/t19-;;;;;;/m0....../s1
InChIKeyAPMWKTDCOHHREA-LSHSUXQKSA-N
XLogP35.15
TPSA398.35 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds38
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002898.44
LogP ≤ 535.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

Trikafta
CID 165363555
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-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]ethanone
CID 58183193
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-[(2R)-2,3-dihydroxypropyl]-2-(2-methylbutan-2-yl)indol-5-yl]ethanone
CID 58183272
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-(1,3-Benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,3-dihydroxypropyl)-6-fluoroindol-5-yl]ethanone
CID 58183291
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-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]ethanone
CID 58183304
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@H](O)CO.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)ccc2[nH]1.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CCO.CCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.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-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?
The InChIKey is APMWKTDCOHHREA-LSHSUXQKSA-N. The full InChI is InChI=1S/C27H29F2NO5.C26H28FNO4.C26H29NO4.C25H27NO3.C24H23F2NO3.C24H26FNO2.C24H25NO3/c1-25(2,3)23-12-17-10-16(4-6-20(17)30(23)14-19(32)15-31)11-24(33)26(8-9-26)18-5-7-21-22(13-18)35-27(28,29)34-21;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;1-25(2,3)23-14-18-12-17(4-6-20(18)27(23)10-11-28)13-24(29)26(8-9-26)19-5-7-21-22(15-19)31-16-30-21;1-4-24(2,3)22-13-17-11-16(5-7-19(17)26-22)12-23(27)25(9-10-25)18-6-8-20-21(14-18)29-15-28-20;1-22(2,3)20-12-15-10-14(4-6-17(15)27-20)11-21(28)23(8-9-23)16-5-7-18-19(13-16)30-24(25,26)29-18;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)21-12-16-10-15(4-6-18(16)25-21)11-22(26)24(8-9-24)17-5-7-19-20(13-17)28-14-27-19/h4-7,10,12-13,19,31-32H,8-9,11,14-15H2,1-3H3;4-5,10-11,13-14,29H,6-9,12,15H2,1-3H3;4-7,12,14-15,28H,8-11,13,16H2,1-3H3;5-8,11,13-14,26H,4,9-10,12,15H2,1-3H3;4-7,10,12-13,27H,8-9,11H2,1-3H3;5-7,10-11,13-14,26H,8-9,12H2,1-4H3;4-7,10,12-13,25H,8-9,11,14H2,1-3H3/t19-;;;;;;/m0....../s1.
What are the key properties of 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?
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 has a molecular weight of 2898.44 g/mol, XLogP of 35.15, 38 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157189335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).