lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride

C124H171Br3ClLiN13O18- — CID 159712128

About lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride

lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride (PubChem CID 159712128) has the molecular formula C124H171Br3ClLiN13O18- and a molecular weight of 2413.91 g/mol. Its IUPAC name is lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride.

Molecular Properties

• Compound Name: lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride
• PubChem CID: 159712128
• Molecular Formula: C124H171Br3ClLiN13O18-
• Molecular Weight: 2413.91 g/mol
• Exact Mass: 2409.03
• IUPAC Name: lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride
• SMILES: C.CC(=O)O.CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCC(C)=O.CCC/C(=N\C(C)(C)C)c1ccc2c(c1)c(C)c(C)n2C.CCCC(=O)N(C)OC.CCCC(=O)c1ccc2c(c1)c(C)c(C)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(C)c(C)n2C.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc2c(c1)c(C)c(C)n2C.Cc1[nH]c2ccc(Br)cc2c1C.Cc1c(C)n(C)c2ccc(Br)cc12.Cl.NNc1ccc(Br)cc1.[Li+].[OH-].[OH-]
• InChI: InChI=1S/C20H22N2O3.C19H20N2O3.C19H28N2.C15H19NO.C11H12BrN.C10H10BrN.C7H10O4.C6H7BrN2.C6H13NO2.C4H11N.C4H8O.C2H4O2.CH4.ClH.Li.2H2O/c1-6-13-9-16(20(24)25-5)19(23)21-18(13)14-7-8-17-15(10-14)11(2)12(3)22(17)4;1-5-12-8-15(19(23)24)18(22)20-17(12)13-6-7-16-14(9-13)10(2)11(3)21(16)4;1-8-9-17(20-19(4,5)6)15-10-11-18-16(12-15)13(2)14(3)21(18)7;1-5-6-15(17)12-7-8-14-13(9-12)10(2)11(3)16(14)4;1-7-8(2)13(3)11-5-4-9(12)6-10(7)11;1-6-7(2)12-10-4-3-8(11)5-9(6)10;1-4-5(6(8)10-2)7(9)11-3;7-5-1-3-6(9-8)4-2-5;1-4-5-6(8)7(2)9-3;1-4(2,3)5;1-3-4(2)5;1-2(3)4;;;;;/h7-10H,6H2,1-5H3,(H,21,23);6-9H,5H2,1-4H3,(H,20,22)(H,23,24);10-12H,8-9H2,1-7H3;7-9H,5-6H2,1-4H3;4-6H,1-3H3;3-5,12H,1-2H3;4H,1-3H3;1-4,9H,8H2;4-5H2,1-3H3;5H2,1-3H3;3H2,1-2H3;1H3,(H,3,4);1H4;1H;;2*1H2/q;;;;;;;;;;;;;;+1;;/p-2/b;;20-17+
• InChIKey: YNONEEHCMJMNJO-TZTAEHAFSA-L
• XLogP: 25.32
• TPSA: 459.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2413.91
LogP ≤ 5	25.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride?

The IUPAC name of lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride (CID 159712128) is lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride.

What is the SMILES notation for lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride?

The canonical SMILES for lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride is C.CC(=O)O.CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCC(C)=O.CCC/C(=N\C(C)(C)C)c1ccc2c(c1)c(C)c(C)n2C.CCCC(=O)N(C)OC.CCCC(=O)c1ccc2c(c1)c(C)c(C)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)c(C)c(C)n2C.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc2c(c1)c(C)c(C)n2C.Cc1[nH]c2ccc(Br)cc2c1C.Cc1c(C)n(C)c2ccc(Br)cc12.Cl.NNc1ccc(Br)cc1.[Li+].[OH-].[OH-].

What is the InChIKey of lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride?

The InChIKey is YNONEEHCMJMNJO-TZTAEHAFSA-L. The full InChI is InChI=1S/C20H22N2O3.C19H20N2O3.C19H28N2.C15H19NO.C11H12BrN.C10H10BrN.C7H10O4.C6H7BrN2.C6H13NO2.C4H11N.C4H8O.C2H4O2.CH4.ClH.Li.2H2O/c1-6-13-9-16(20(24)25-5)19(23)21-18(13)14-7-8-17-15(10-14)11(2)12(3)22(17)4;1-5-12-8-15(19(23)24)18(22)20-17(12)13-6-7-16-14(9-13)10(2)11(3)21(16)4;1-8-9-17(20-19(4,5)6)15-10-11-18-16(12-15)13(2)14(3)21(18)7;1-5-6-15(17)12-7-8-14-13(9-12)10(2)11(3)16(14)4;1-7-8(2)13(3)11-5-4-9(12)6-10(7)11;1-6-7(2)12-10-4-3-8(11)5-9(6)10;1-4-5(6(8)10-2)7(9)11-3;7-5-1-3-6(9-8)4-2-5;1-4-5-6(8)7(2)9-3;1-4(2,3)5;1-3-4(2)5;1-2(3)4;;;;;/h7-10H,6H2,1-5H3,(H,21,23);6-9H,5H2,1-4H3,(H,20,22)(H,23,24);10-12H,8-9H2,1-7H3;7-9H,5-6H2,1-4H3;4-6H,1-3H3;3-5,12H,1-2H3;4H,1-3H3;1-4,9H,8H2;4-5H2,1-3H3;5H2,1-3H3;3H2,1-2H3;1H3,(H,3,4);1H4;1H;;2*1H2/q;;;;;;;;;;;;;;+1;;/p-2/b;;20-17+;;;;;;;;;;;;;;.

What are the key properties of lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride?

lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride has a molecular weight of 2413.91 g/mol, XLogP of 25.32, 19 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;acetic acid;5-bromo-2,3-dimethyl-1H-indole;(4-bromophenyl)hydrazine;5-bromo-1,2,3-trimethylindole;butan-2-one;N-tert-butyl-1-(1,2,3-trimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1,2,3-trimethylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1,2,3-trimethylindol-5-yl)butan-1-one;dihydroxide;hydrochloride is sourced from PubChem (CID 159712128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).