lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride

C174H218BBrClF3LiN15O29 — CID 159263429

IUPAClithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride
SMILESCC.CC(=O)c1ccc(-c2cc(C)ccn2)cc1.CC(=O)c1ccc(B(O)O)cc1.CC(=O)c1ccc(C2CC(C)CCN2)cc1.COc1cc(C)c2[nH]ccc2c1CN1CCC(C)CC1c1ccc(C(=O)NO)cc1.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1C=O.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CN1CCC(C)CC1c1ccc(C(=O)NO)cc1.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CN1CCC(C)CC1c1ccc(C(=O)O)cc1.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CN1CCC(C)CC1c1ccc(C(C)=O)cc1.Cc1ccnc(Br)c1.Cl.NO.[2H]C(=O)C(F)(F)F.[Li+].[OH-]
InChIInChI=1S/C30H38N2O4.C29H37N3O5.C29H36N2O5.C24H29N3O3.C16H19NO4.C14H19NO.C14H13NO.C8H9BO3.C6H6BrN.C2HF3O.C2H6.ClH.Li.H3NO.H2O/c1-19-12-14-31(26(16-19)23-10-8-22(9-11-23)21(3)33)18-25-24-13-15-32(29(34)36-30(4,5)6)28(24)20(2)17-27(25)35-7;1-18-11-13-31(24(15-18)20-7-9-21(10-8-20)27(33)30-35)17-23-22-12-14-32(28(34)37-29(3,4)5)26(22)19(2)16-25(23)36-6;1-18-11-13-30(24(15-18)20-7-9-21(10-8-20)27(32)33)17-23-22-12-14-31(28(34)36-29(3,4)5)26(22)19(2)16-25(23)35-6;1-15-9-11-27(21(12-15)17-4-6-18(7-5-17)24(28)26-29)14-20-19-8-10-25-23(19)16(2)13-22(20)30-3;1-10-8-13(20-5)12(9-18)11-6-7-17(14(10)11)15(19)21-16(2,3)4;2*1-10-7-8-15-14(9-10)13-5-3-12(4-6-13)11(2)16;1-6(10)7-2-4-8(5-3-7)9(11)12;1-5-2-3-8-6(7)4-5;3-2(4,5)1-6;1-2;;;1-2;/h8-11,13,15,17,19,26H,12,14,16,18H2,1-7H3;7-10,12,14,16,18,24,35H,11,13,15,17H2,1-6H3,(H,30,33);7-10,12,14,16,18,24H,11,13,15,17H2,1-6H3,(H,32,33);4-8,10,13,15,21,25,29H,9,11-12,14H2,1-3H3,(H,26,28);6-9H,1-5H3;3-6,10,14-15H,7-9H2,1-2H3;3-9H,1-2H3;2-5,11-12H,1H3;2-4H,1H3;1H;1-2H3;1H;;2H,1H2;1H2/q;;;;;;;;;;;;+1;;/p-1/i;;;;;;;;;1D;;;;;
InChIKeyQNCOQDOZTSZZRT-QSLMHYELSA-M
MW3174.84 g/mol
LogP33.58
Rot. Bonds28

About lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride

lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride (PubChem CID 159263429) has the molecular formula C174H218BBrClF3LiN15O29 and a molecular weight of 3174.84 g/mol. Its IUPAC name is lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride
PubChem CID159263429
Molecular FormulaC174H218BBrClF3LiN15O29
Molecular Weight3174.84 g/mol
Exact Mass3171.52
IUPAC Namelithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride
SMILESCC.CC(=O)c1ccc(-c2cc(C)ccn2)cc1.CC(=O)c1ccc(B(O)O)cc1.CC(=O)c1ccc(C2CC(C)CCN2)cc1.COc1cc(C)c2[nH]ccc2c1CN1CCC(C)CC1c1ccc(C(=O)NO)cc1.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1C=O.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CN1CCC(C)CC1c1ccc(C(=O)NO)cc1.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CN1CCC(C)CC1c1ccc(C(=O)O)cc1.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CN1CCC(C)CC1c1ccc(C(C)=O)cc1.Cc1ccnc(Br)c1.Cl.NO.[2H]C(=O)C(F)(F)F.[Li+].[OH-]
InChIInChI=1S/C30H38N2O4.C29H37N3O5.C29H36N2O5.C24H29N3O3.C16H19NO4.C14H19NO.C14H13NO.C8H9BO3.C6H6BrN.C2HF3O.C2H6.ClH.Li.H3NO.H2O/c1-19-12-14-31(26(16-19)23-10-8-22(9-11-23)21(3)33)18-25-24-13-15-32(29(34)36-30(4,5)6)28(24)20(2)17-27(25)35-7;1-18-11-13-31(24(15-18)20-7-9-21(10-8-20)27(33)30-35)17-23-22-12-14-32(28(34)37-29(3,4)5)26(22)19(2)16-25(23)36-6;1-18-11-13-30(24(15-18)20-7-9-21(10-8-20)27(32)33)17-23-22-12-14-31(28(34)36-29(3,4)5)26(22)19(2)16-25(23)35-6;1-15-9-11-27(21(12-15)17-4-6-18(7-5-17)24(28)26-29)14-20-19-8-10-25-23(19)16(2)13-22(20)30-3;1-10-8-13(20-5)12(9-18)11-6-7-17(14(10)11)15(19)21-16(2,3)4;2*1-10-7-8-15-14(9-10)13-5-3-12(4-6-13)11(2)16;1-6(10)7-2-4-8(5-3-7)9(11)12;1-5-2-3-8-6(7)4-5;3-2(4,5)1-6;1-2;;;1-2;/h8-11,13,15,17,19,26H,12,14,16,18H2,1-7H3;7-10,12,14,16,18,24,35H,11,13,15,17H2,1-6H3,(H,30,33);7-10,12,14,16,18,24H,11,13,15,17H2,1-6H3,(H,32,33);4-8,10,13,15,21,25,29H,9,11-12,14H2,1-3H3,(H,26,28);6-9H,1-5H3;3-6,10,14-15H,7-9H2,1-2H3;3-9H,1-2H3;2-5,11-12H,1H3;2-4H,1H3;1H;1-2H3;1H;;2H,1H2;1H2/q;;;;;;;;;;;;+1;;/p-1/i;;;;;;;;;1D;;;;;
InChIKeyQNCOQDOZTSZZRT-QSLMHYELSA-M
XLogP33.58
TPSA592.72 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003174.84
LogP ≤ 533.58
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[(2S)-2-(4-acetylcyclohexyl)piperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;methane;4-[(2S)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]cyclohexane-1-carboxylic acid;4-[(2S)-1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]piperidin-2-yl]cyclohexane-1-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 159867776
tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 157748856
2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-ethoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;ethyl 4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylate;ethyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate;ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate;ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 158845584
ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid
CID 159170271
tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;methane;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;hydrochloride
CID 159315295
tert-butyl 4-(hydroxymethyl)-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2R,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;tert-butyl 5-methoxy-4-[[(2S,4R)-2-(4-methoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-7-methylindole-1-carboxylate;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;4-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;methyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 161220887
Lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;hydroxylamine;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride
CID 165006942
2-Bromo-4-methylpyridine;tert-butyl 4-[[2-(4-ethoxycarbonyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 5-ethyl-4-formyl-7-methylindole-1-carboxylate;ethyl 4-(4-methylpiperidin-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate;ethyl 4-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate;ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 165105498

Frequently Asked Questions

What is the IUPAC name of lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride?
The IUPAC name of lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride (CID 159263429) is lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride.
What is the SMILES notation for lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride?
The canonical SMILES for lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride is CC.CC(=O)c1ccc(-c2cc(C)ccn2)cc1.CC(=O)c1ccc(B(O)O)cc1.CC(=O)c1ccc(C2CC(C)CCN2)cc1.COc1cc(C)c2[nH]ccc2c1CN1CCC(C)CC1c1ccc(C(=O)NO)cc1.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1C=O.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CN1CCC(C)CC1c1ccc(C(=O)NO)cc1.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CN1CCC(C)CC1c1ccc(C(=O)O)cc1.COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1CN1CCC(C)CC1c1ccc(C(C)=O)cc1.Cc1ccnc(Br)c1.Cl.NO.[2H]C(=O)C(F)(F)F.[Li+].[OH-].
What is the InChIKey of lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride?
The InChIKey is QNCOQDOZTSZZRT-QSLMHYELSA-M. The full InChI is InChI=1S/C30H38N2O4.C29H37N3O5.C29H36N2O5.C24H29N3O3.C16H19NO4.C14H19NO.C14H13NO.C8H9BO3.C6H6BrN.C2HF3O.C2H6.ClH.Li.H3NO.H2O/c1-19-12-14-31(26(16-19)23-10-8-22(9-11-23)21(3)33)18-25-24-13-15-32(29(34)36-30(4,5)6)28(24)20(2)17-27(25)35-7;1-18-11-13-31(24(15-18)20-7-9-21(10-8-20)27(33)30-35)17-23-22-12-14-32(28(34)37-29(3,4)5)26(22)19(2)16-25(23)36-6;1-18-11-13-30(24(15-18)20-7-9-21(10-8-20)27(32)33)17-23-22-12-14-31(28(34)36-29(3,4)5)26(22)19(2)16-25(23)35-6;1-15-9-11-27(21(12-15)17-4-6-18(7-5-17)24(28)26-29)14-20-19-8-10-25-23(19)16(2)13-22(20)30-3;1-10-8-13(20-5)12(9-18)11-6-7-17(14(10)11)15(19)21-16(2,3)4;2*1-10-7-8-15-14(9-10)13-5-3-12(4-6-13)11(2)16;1-6(10)7-2-4-8(5-3-7)9(11)12;1-5-2-3-8-6(7)4-5;3-2(4,5)1-6;1-2;;;1-2;/h8-11,13,15,17,19,26H,12,14,16,18H2,1-7H3;7-10,12,14,16,18,24,35H,11,13,15,17H2,1-6H3,(H,30,33);7-10,12,14,16,18,24H,11,13,15,17H2,1-6H3,(H,32,33);4-8,10,13,15,21,25,29H,9,11-12,14H2,1-3H3,(H,26,28);6-9H,1-5H3;3-6,10,14-15H,7-9H2,1-2H3;3-9H,1-2H3;2-5,11-12H,1H3;2-4H,1H3;1H;1-2H3;1H;;2H,1H2;1H2/q;;;;;;;;;;;;+1;;/p-1/i;;;;;;;;;1D;;;;;.
What are the key properties of lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride?
lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride has a molecular weight of 3174.84 g/mol, XLogP of 33.58, 28 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(4-acetylphenyl)boronic acid;2-bromo-4-methylpyridine;tert-butyl 4-[[2-(4-acetylphenyl)-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-formyl-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[[2-[4-(hydroxycarbamoyl)phenyl]-4-methylpiperidin-1-yl]methyl]-5-methoxy-7-methylindole-1-carboxylate;1-deuterio-2,2,2-trifluoroethanone;ethane;hydroxylamine;N-hydroxy-4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-methylpiperidin-2-yl]benzamide;4-[1-[[5-methoxy-7-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]methyl]-4-methylpiperidin-2-yl]benzoic acid;1-[4-(4-methylpiperidin-2-yl)phenyl]ethanone;1-[4-(4-methyl-2-pyridinyl)phenyl]ethanone;hydroxide;hydrochloride is sourced from PubChem (CID 159263429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).