2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane)

C213H201Br6Cl5F6N10O20P4PdSi2 — CID 158608885

IUPAC2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane)
SMILESBrc1ccc2[nH]ccc2c1.C#C[Si](C)(C)C.CC(=O)c1c[nH]c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)CCc2cccc(Cl)c2F)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)CCc2cccc(Cl)c2F)c2ccc(C#CC(=O)O)cc12.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)CCc2cccc(Cl)c2F)c2ccc(C#C[Si](C)(C)C)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(C)(C)OC(=O)CBr.ClCCl.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H31ClF2N2O3Si.C28H23ClF2N2O5.C25H22BrClF2N2O3.4C18H15P.C16H18BrNO3.C12H10BrNO3.C10H8BrNO.C8H6BrN.C6H11BrO2.C5H10Si.CH2Cl2.Pd/c1-19(36)24-17-34(26-10-8-20(14-23(24)26)12-13-39(2,3)4)18-29(38)35-16-22(32)15-27(35)28(37)11-9-21-6-5-7-25(31)30(21)33;1-16(34)21-14-32(23-8-5-17(11-20(21)23)6-10-27(37)38)15-26(36)33-13-19(30)12-24(33)25(35)9-7-18-3-2-4-22(29)28(18)31;1-14(32)19-12-30(21-7-6-16(26)9-18(19)21)13-24(34)31-11-17(28)10-22(31)23(33)8-5-15-3-2-4-20(27)25(15)29;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-7(15)10-5-14(6-12(16)17)11-3-2-8(13)4-9(10)11;1-6(13)9-5-12-10-3-2-7(11)4-8(9)10;9-7-1-2-8-6(5-7)3-4-10-8;1-6(2,3)9-5(8)4-7;1-5-6(2,3)4;2-1-3;/h5-8,10,14,17,22,27H,9,11,15-16,18H2,1-4H3;2-5,8,11,14,19,24H,7,9,12-13,15H2,1H3,(H,37,38);2-4,6-7,9,12,17,22H,5,8,10-11,13H2,1H3;4*1-15H;5-8H,9H2,1-4H3;2-5H,6H2,1H3,(H,16,17);2-5,12H,1H3;1-5,10H;4H2,1-3H3;1H,2-4H3;1H2;/t22-,27+;19-,24+;17-,22+;;;;;;;;;;;;/m111............/s1
InChIKeyHWOSPBVWIRDGEW-RDJAMQMDSA-N
MW4278.17 g/mol
LogP46.88
Rot. Bonds41

About 2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane)

2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane) (PubChem CID 158608885) has the molecular formula C213H201Br6Cl5F6N10O20P4PdSi2 and a molecular weight of 4278.17 g/mol. Its IUPAC name is 2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane)
PubChem CID158608885
Molecular FormulaC213H201Br6Cl5F6N10O20P4PdSi2
Molecular Weight4278.17 g/mol
Exact Mass4266.60
IUPAC Name2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane)
SMILESBrc1ccc2[nH]ccc2c1.C#C[Si](C)(C)C.CC(=O)c1c[nH]c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)CCc2cccc(Cl)c2F)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)CCc2cccc(Cl)c2F)c2ccc(C#CC(=O)O)cc12.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)CCc2cccc(Cl)c2F)c2ccc(C#C[Si](C)(C)C)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(C)(C)OC(=O)CBr.ClCCl.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H31ClF2N2O3Si.C28H23ClF2N2O5.C25H22BrClF2N2O3.4C18H15P.C16H18BrNO3.C12H10BrNO3.C10H8BrNO.C8H6BrN.C6H11BrO2.C5H10Si.CH2Cl2.Pd/c1-19(36)24-17-34(26-10-8-20(14-23(24)26)12-13-39(2,3)4)18-29(38)35-16-22(32)15-27(35)28(37)11-9-21-6-5-7-25(31)30(21)33;1-16(34)21-14-32(23-8-5-17(11-20(21)23)6-10-27(37)38)15-26(36)33-13-19(30)12-24(33)25(35)9-7-18-3-2-4-22(29)28(18)31;1-14(32)19-12-30(21-7-6-16(26)9-18(19)21)13-24(34)31-11-17(28)10-22(31)23(33)8-5-15-3-2-4-20(27)25(15)29;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-7(15)10-5-14(6-12(16)17)11-3-2-8(13)4-9(10)11;1-6(13)9-5-12-10-3-2-7(11)4-8(9)10;9-7-1-2-8-6(5-7)3-4-10-8;1-6(2,3)9-5(8)4-7;1-5-6(2,3)4;2-1-3;/h5-8,10,14,17,22,27H,9,11,15-16,18H2,1-4H3;2-5,8,11,14,19,24H,7,9,12-13,15H2,1H3,(H,37,38);2-4,6-7,9,12,17,22H,5,8,10-11,13H2,1H3;4*1-15H;5-8H,9H2,1-4H3;2-5H,6H2,1H3,(H,16,17);2-5,12H,1H3;1-5,10H;4H2,1-3H3;1H,2-4H3;1H2;/t22-,27+;19-,24+;17-,22+;;;;;;;;;;;;/m111............/s1
InChIKeyHWOSPBVWIRDGEW-RDJAMQMDSA-N
XLogP46.88
TPSA397.99 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds41
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004278.17
LogP ≤ 546.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde
CID 161053223
2-[3-acetyl-5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;2-[3-(2-chlorophenyl)-2-fluorophenyl]-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride
CID 157387625
2-(3-acetyl-6-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[3-[3-acetyl-6-(2-trimethylsilylethynyl)indol-1-yl]prop-1-en-2-yl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-1H-indole;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-[3-acetyl-6-[2-(2-bromoacetyl)oxypropan-2-ylbromanuidyl]indol-1-yl]acetate;dichloromethane;diphosphanyl-phosphanyl-(tetraphosphanyl)phosphane;ethynyl(trimethyl)silane;palladium
CID 157455561
2-(3-acetyl-6-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[3-[3-acetyl-6-(2-trimethylsilylethynyl)indol-1-yl]prop-1-en-2-yl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-1H-indole;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane)
CID 157639376
dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;oxido formate
CID 158465757
dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;oxido formate;hydrate
CID 159710980
CID 160058174
CID 160058174
2-[3-acetyl-5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride
CID 161414927
CID 162041853
CID 162041853

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane) (CID 158608885) is 2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane) is Brc1ccc2[nH]ccc2c1.C#C[Si](C)(C)C.CC(=O)c1c[nH]c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)CCc2cccc(Cl)c2F)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)CCc2cccc(Cl)c2F)c2ccc(C#CC(=O)O)cc12.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)CCc2cccc(Cl)c2F)c2ccc(C#C[Si](C)(C)C)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(C)(C)OC(=O)CBr.ClCCl.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane)?
The InChIKey is HWOSPBVWIRDGEW-RDJAMQMDSA-N. The full InChI is InChI=1S/C30H31ClF2N2O3Si.C28H23ClF2N2O5.C25H22BrClF2N2O3.4C18H15P.C16H18BrNO3.C12H10BrNO3.C10H8BrNO.C8H6BrN.C6H11BrO2.C5H10Si.CH2Cl2.Pd/c1-19(36)24-17-34(26-10-8-20(14-23(24)26)12-13-39(2,3)4)18-29(38)35-16-22(32)15-27(35)28(37)11-9-21-6-5-7-25(31)30(21)33;1-16(34)21-14-32(23-8-5-17(11-20(21)23)6-10-27(37)38)15-26(36)33-13-19(30)12-24(33)25(35)9-7-18-3-2-4-22(29)28(18)31;1-14(32)19-12-30(21-7-6-16(26)9-18(19)21)13-24(34)31-11-17(28)10-22(31)23(33)8-5-15-3-2-4-20(27)25(15)29;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-7(15)10-5-14(6-12(16)17)11-3-2-8(13)4-9(10)11;1-6(13)9-5-12-10-3-2-7(11)4-8(9)10;9-7-1-2-8-6(5-7)3-4-10-8;1-6(2,3)9-5(8)4-7;1-5-6(2,3)4;2-1-3;/h5-8,10,14,17,22,27H,9,11,15-16,18H2,1-4H3;2-5,8,11,14,19,24H,7,9,12-13,15H2,1H3,(H,37,38);2-4,6-7,9,12,17,22H,5,8,10-11,13H2,1H3;4*1-15H;5-8H,9H2,1-4H3;2-5H,6H2,1H3,(H,16,17);2-5,12H,1H3;1-5,10H;4H2,1-3H3;1H,2-4H3;1H2;/t22-,27+;19-,24+;17-,22+;;;;;;;;;;;;/m111............/s1.
What are the key properties of 2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane)?
2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane) has a molecular weight of 4278.17 g/mol, XLogP of 46.88, 41 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-5-bromoindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-5-bromoindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-[3-acetyl-1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid;1-[(2S,4R)-1-[2-[3-acetyl-5-(2-trimethylsilylethynyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;5-bromo-1H-indole;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;dichloromethane;ethynyl(trimethyl)silane;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158608885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).