ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one

C173H180F4N12O15 — CID 158272422

IUPACethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one
SMILESCC(C)COc1ccc2c(C(=O)CCc3cccnc3)c(C(C)C)n(Cc3ccccn3)c2c1.CC(C)OC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2cccnc2)c2ccc(O)cc2n1Cc1ccccn1.CCCOc1ccc2c(C(=O)CCc3cccnc3)c(C(C)C)n(Cc3ccccn3)c2c1.CCOC(=O)c1ccc2c(C(=O)CCc3ccc(F)cc3)c(C(C)C)n(Cc3ccccc3)c2c1.CCOC(=O)c1ccc2c(C(=O)CCc3cccc(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C31H31F2NO3.2C30H30FNO3.C29H33N3O2.C28H31N3O2.C25H25N3O2/c1-19(2)30-29(28(35)15-11-21-10-14-25(32)26(33)16-21)24-13-12-23(31(36)37-20(3)4)17-27(24)34(30)18-22-8-6-5-7-9-22;1-4-35-30(34)23-14-15-25-26(18-23)32(19-22-9-6-5-7-10-22)29(20(2)3)28(25)27(33)16-13-21-11-8-12-24(31)17-21;1-4-35-30(34)23-13-16-25-26(18-23)32(19-22-8-6-5-7-9-22)29(20(2)3)28(25)27(33)17-12-21-10-14-24(31)15-11-21;1-20(2)19-34-24-11-12-25-26(16-24)32(18-23-9-5-6-15-31-23)29(21(3)4)28(25)27(33)13-10-22-8-7-14-30-17-22;1-4-16-33-23-11-12-24-25(17-23)31(19-22-9-5-6-15-30-22)28(20(2)3)27(24)26(32)13-10-21-8-7-14-29-18-21;1-17(2)25-24(23(30)11-8-18-6-5-12-26-15-18)21-10-9-20(29)14-22(21)28(25)16-19-7-3-4-13-27-19/h5-10,12-14,16-17,19-20H,11,15,18H2,1-4H3;5-12,14-15,17-18,20H,4,13,16,19H2,1-3H3;5-11,13-16,18,20H,4,12,17,19H2,1-3H3;5-9,11-12,14-17,20-21H,10,13,18-19H2,1-4H3;5-9,11-12,14-15,17-18,20H,4,10,13,16,19H2,1-3H3;3-7,9-10,12-15,17,29H,8,11,16H2,1-2H3
InChIKeyGJEXKXSSOUCAFZ-UHFFFAOYSA-N
MW2743.40 g/mol
LogP39.15
Rot. Bonds54

About ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one

ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 158272422) has the molecular formula C173H180F4N12O15 and a molecular weight of 2743.40 g/mol. Its IUPAC name is ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Nameethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID158272422
Molecular FormulaC173H180F4N12O15
Molecular Weight2743.40 g/mol
Exact Mass2741.36
IUPAC Nameethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one
SMILESCC(C)COc1ccc2c(C(=O)CCc3cccnc3)c(C(C)C)n(Cc3ccccn3)c2c1.CC(C)OC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2cccnc2)c2ccc(O)cc2n1Cc1ccccn1.CCCOc1ccc2c(C(=O)CCc3cccnc3)c(C(C)C)n(Cc3ccccn3)c2c1.CCOC(=O)c1ccc2c(C(=O)CCc3ccc(F)cc3)c(C(C)C)n(Cc3ccccc3)c2c1.CCOC(=O)c1ccc2c(C(=O)CCc3cccc(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C31H31F2NO3.2C30H30FNO3.C29H33N3O2.C28H31N3O2.C25H25N3O2/c1-19(2)30-29(28(35)15-11-21-10-14-25(32)26(33)16-21)24-13-12-23(31(36)37-20(3)4)17-27(24)34(30)18-22-8-6-5-7-9-22;1-4-35-30(34)23-14-15-25-26(18-23)32(19-22-9-6-5-7-10-22)29(20(2)3)28(25)27(33)16-13-21-11-8-12-24(31)17-21;1-4-35-30(34)23-13-16-25-26(18-23)32(19-22-8-6-5-7-9-22)29(20(2)3)28(25)27(33)17-12-21-10-14-24(31)15-11-21;1-20(2)19-34-24-11-12-25-26(16-24)32(18-23-9-5-6-15-31-23)29(21(3)4)28(25)27(33)13-10-22-8-7-14-30-17-22;1-4-16-33-23-11-12-24-25(17-23)31(19-22-9-5-6-15-30-22)28(20(2)3)27(24)26(32)13-10-21-8-7-14-29-18-21;1-17(2)25-24(23(30)11-8-18-6-5-12-26-15-18)21-10-9-20(29)14-22(21)28(25)16-19-7-3-4-13-27-19/h5-10,12-14,16-17,19-20H,11,15,18H2,1-4H3;5-12,14-15,17-18,20H,4,13,16,19H2,1-3H3;5-11,13-16,18,20H,4,12,17,19H2,1-3H3;5-9,11-12,14-17,20-21H,10,13,18-19H2,1-4H3;5-9,11-12,14-15,17-18,20H,4,10,13,16,19H2,1-3H3;3-7,9-10,12-15,17,29H,8,11,16H2,1-2H3
InChIKeyGJEXKXSSOUCAFZ-UHFFFAOYSA-N
XLogP39.15
TPSA326.93 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds54
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002743.40
LogP ≤ 539.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-propan-2-ylphenyl)indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]-6-propan-2-yloxyindole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 157080571
6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,5-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,6-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(5-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-5-(trifluoromethoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 157363888
[8-[2-(2,6-Diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[2-(2,6-diethyl-3-pyridinyl)-1-methylindol-6-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-(1-ethyl-2-pyridin-3-ylindol-6-yl)oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(1-methyl-2-pyridin-3-ylindol-6-yl)oxyoctyl] prop-2-enoate
CID 157991036
6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide;6-methyl-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide
CID 158782988
1-[1-[3-(4-Benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-benzylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one;1-[6-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone
CID 158927298
[7-[2-(2,6-Diethyl-3-pyridinyl)-1-ethylindol-6-yl]oxy-4,4-difluoroheptyl] 2-methylprop-2-enoate;[7-[2-(2,6-diethyl-3-pyridinyl)-1-propan-2-ylindol-6-yl]oxy-4,4-difluoroheptyl] prop-2-enoate;[4,4-difluoro-7-[2-(2-methoxy-4-pentylphenyl)-1-methylindol-6-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[2-(2-methoxy-4-pentylphenyl)-1-pentylindol-6-yl]oxyheptyl] 2-methylprop-2-enoate;[4,4-difluoro-7-[1-(4-methylpentyl)-2-pyridin-3-ylindol-6-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[1-(2-methylpropyl)-2-pyridin-3-ylindol-6-yl]oxyheptyl] 2-methylprop-2-enoate;[7-[1-ethyl-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxy-4,4-difluoroheptyl] 2-methylprop-2-enoate
CID 159656549
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[4-(4-butylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 159700021
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 159766192
[2-[[2-(2,6-Diethyl-3-pyridinyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-4,4,4-trifluorobutyl] prop-2-enoate;[2-[[2-(2,6-diethyl-3-pyridinyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluorobutyl] 2-methylprop-2-enoate;[2-[[1-ethyl-2-(2-methoxy-4-pentylphenyl)indol-6-yl]oxymethyl]-4,4,4-trifluorobutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-pyridin-3-ylindol-6-yl)oxymethyl]-4,4,4-trifluorobutyl] prop-2-enoate;[4,4,4-trifluoro-2-[[2-(2-methoxy-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]butyl] prop-2-enoate;[4,4,4-trifluoro-2-[(1-pentyl-2-pyridin-3-ylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate
CID 160234125
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[6-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 161285548
3-[[5-(1,1-Difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 162199239
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-propan-2-ylphenyl)indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[6-(2-methylpropyl)-3-pyridinyl]-1-pentan-3-yl-3,4-dihydro-2H-quinoline-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]-6-propan-2-yloxyindole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 167572065

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one (CID 158272422) is ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one is CC(C)COc1ccc2c(C(=O)CCc3cccnc3)c(C(C)C)n(Cc3ccccn3)c2c1.CC(C)OC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2cccnc2)c2ccc(O)cc2n1Cc1ccccn1.CCCOc1ccc2c(C(=O)CCc3cccnc3)c(C(C)C)n(Cc3ccccn3)c2c1.CCOC(=O)c1ccc2c(C(=O)CCc3ccc(F)cc3)c(C(C)C)n(Cc3ccccc3)c2c1.CCOC(=O)c1ccc2c(C(=O)CCc3cccc(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.
What is the InChIKey of ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is GJEXKXSSOUCAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2NO3.2C30H30FNO3.C29H33N3O2.C28H31N3O2.C25H25N3O2/c1-19(2)30-29(28(35)15-11-21-10-14-25(32)26(33)16-21)24-13-12-23(31(36)37-20(3)4)17-27(24)34(30)18-22-8-6-5-7-9-22;1-4-35-30(34)23-14-15-25-26(18-23)32(19-22-9-6-5-7-10-22)29(20(2)3)28(25)27(33)16-13-21-11-8-12-24(31)17-21;1-4-35-30(34)23-13-16-25-26(18-23)32(19-22-8-6-5-7-9-22)29(20(2)3)28(25)27(33)17-12-21-10-14-24(31)15-11-21;1-20(2)19-34-24-11-12-25-26(16-24)32(18-23-9-5-6-15-31-23)29(21(3)4)28(25)27(33)13-10-22-8-7-14-30-17-22;1-4-16-33-23-11-12-24-25(17-23)31(19-22-9-5-6-15-30-22)28(20(2)3)27(24)26(32)13-10-21-8-7-14-29-18-21;1-17(2)25-24(23(30)11-8-18-6-5-12-26-15-18)21-10-9-20(29)14-22(21)28(25)16-19-7-3-4-13-27-19/h5-10,12-14,16-17,19-20H,11,15,18H2,1-4H3;5-12,14-15,17-18,20H,4,13,16,19H2,1-3H3;5-11,13-16,18,20H,4,12,17,19H2,1-3H3;5-9,11-12,14-17,20-21H,10,13,18-19H2,1-4H3;5-9,11-12,14-15,17-18,20H,4,10,13,16,19H2,1-3H3;3-7,9-10,12-15,17,29H,8,11,16H2,1-2H3.
What are the key properties of ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one?
ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 2743.40 g/mol, XLogP of 39.15, 54 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;ethyl 1-benzyl-3-[3-(4-fluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;1-[6-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one;propan-2-yl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;1-[2-propan-2-yl-6-propoxy-1-(pyridin-2-ylmethyl)indol-3-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 158272422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).