lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide

C96H117BrLiN10O15- — CID 162090513

IUPAClithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide
SMILESCC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.COC(=O)c1cc(C2CC2)c(-c2ccc3c(ccn3C)c2)[nH]c1=O.CON(C)C(=O)CC1CC1.Cn1ccc2cc(-c3[nH]c(=O)c(C(=O)O)cc3C3CC3)ccc21.Cn1ccc2cc(/C(CC3CC3)=N\C(C)(C)C)ccc21.Cn1ccc2cc(Br)ccc21.Cn1ccc2cc(C(=O)CC3CC3)ccc21.[Li+].[OH-].[OH-]
InChIInChI=1S/C19H18N2O3.C18H16N2O3.C18H24N2.C14H15NO.C9H8BrN.C7H13NO2.C7H10O4.C4H11N.Li.2H2O/c1-21-8-7-12-9-13(5-6-16(12)21)17-14(11-3-4-11)10-15(18(22)20-17)19(23)24-2;1-20-7-6-11-8-12(4-5-15(11)20)16-13(10-2-3-10)9-14(18(22)23)17(21)19-16;1-18(2,3)19-16(11-13-5-6-13)14-7-8-17-15(12-14)9-10-20(17)4;1-15-7-6-11-9-12(4-5-13(11)15)14(16)8-10-2-3-10;1-11-5-4-7-6-8(10)2-3-9(7)11;1-8(10-2)7(9)5-6-3-4-6;1-4-5(6(8)10-2)7(9)11-3;1-4(2,3)5;;;/h5-11H,3-4H2,1-2H3,(H,20,22);4-10H,2-3H2,1H3,(H,19,21)(H,22,23);7-10,12-13H,5-6,11H2,1-4H3;4-7,9-10H,2-3,8H2,1H3;2-6H,1H3;6H,3-5H2,1-2H3;4H,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;+1;;/p-2/b;;19-16-;;;;;;;;
InChIKeyXAZWVGSDIZMCRV-WLKLXYIJSA-L
MW1737.89 g/mol
LogP15.45
Rot. Bonds17

About lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide

lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide (PubChem CID 162090513) has the molecular formula C96H117BrLiN10O15- and a molecular weight of 1737.89 g/mol. Its IUPAC name is lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide.

Molecular Properties

Compound Namelithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide
PubChem CID162090513
Molecular FormulaC96H117BrLiN10O15-
Molecular Weight1737.89 g/mol
Exact Mass1735.80
IUPAC Namelithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide
SMILESCC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.COC(=O)c1cc(C2CC2)c(-c2ccc3c(ccn3C)c2)[nH]c1=O.CON(C)C(=O)CC1CC1.Cn1ccc2cc(-c3[nH]c(=O)c(C(=O)O)cc3C3CC3)ccc21.Cn1ccc2cc(/C(CC3CC3)=N\C(C)(C)C)ccc21.Cn1ccc2cc(Br)ccc21.Cn1ccc2cc(C(=O)CC3CC3)ccc21.[Li+].[OH-].[OH-]
InChIInChI=1S/C19H18N2O3.C18H16N2O3.C18H24N2.C14H15NO.C9H8BrN.C7H13NO2.C7H10O4.C4H11N.Li.2H2O/c1-21-8-7-12-9-13(5-6-16(12)21)17-14(11-3-4-11)10-15(18(22)20-17)19(23)24-2;1-20-7-6-11-8-12(4-5-15(11)20)16-13(10-2-3-10)9-14(18(22)23)17(21)19-16;1-18(2,3)19-16(11-13-5-6-13)14-7-8-17-15(12-14)9-10-20(17)4;1-15-7-6-11-9-12(4-5-13(11)15)14(16)8-10-2-3-10;1-11-5-4-7-6-8(10)2-3-9(7)11;1-8(10-2)7(9)5-6-3-4-6;1-4-5(6(8)10-2)7(9)11-3;1-4(2,3)5;;;/h5-11H,3-4H2,1-2H3,(H,20,22);4-10H,2-3H2,1H3,(H,19,21)(H,22,23);7-10,12-13H,5-6,11H2,1-4H3;4-7,9-10H,2-3,8H2,1H3;2-6H,1H3;6H,3-5H2,1-2H3;4H,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;+1;;/p-2/b;;19-16-;;;;;;;;
InChIKeyXAZWVGSDIZMCRV-WLKLXYIJSA-L
XLogP15.45
TPSA351.56 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001737.89
LogP ≤ 515.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide with MolForge

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Related Compounds

lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide
CID 157292195
lithium;5-bromo-1-methylindole;N-tert-butyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;1-(1-methylindol-5-yl)butan-1-one;2-methylpropan-2-amine;dihydroxide
CID 157630209
lithium;acetic acid;6-bromo-9-methyl-1,2,3,4-tetrahydrocarbazole;(4-bromophenyl)hydrazine;6-bromo-2,3,4,9-tetrahydro-1H-carbazole;N-tert-butyl-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)butan-1-imine;cyclohexanone;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)butan-1-one;dihydroxide;hydrochloride
CID 157866861
lithium;5-bromo-1-(1,3-dioxolan-2-ylmethyl)indole;5-bromo-1H-indole;2-(bromomethyl)-1,3-dioxolane;N-tert-butyl-1-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]butan-1-one;6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 6-[1-(1,3-dioxolan-2-ylmethyl)indol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide
CID 158491575
lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide
CID 159574305
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
lithium;2-(2-bromoethoxy)oxane;5-bromo-1H-indole;5-bromo-1-propylindole;N-tert-butyl-1-(1-propylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[1-(2-hydroxyethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-2-oxo-6-(1-propylindol-5-yl)-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-propylindol-5-yl)butan-1-one;dihydroxide
CID 161309864
lithium;5-bromo-1,2-dimethylindole;5-bromo-2-methyl-1H-indole;N-tert-butyl-1-(1,2-dimethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;1-(1,2-dimethylindol-5-yl)butan-1-one;6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 6-(1,2-dimethylindol-5-yl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide
CID 161447501
lithium;magnesium;N-tert-butyl-1-(1-ethylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;1-ethylindole-5-carbonitrile;1-(1-ethylindol-5-yl)butan-1-one;1H-indole-5-carbonitrile;methyl 5-ethyl-6-(1-ethylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;propane;chloride;dihydroxide
CID 161942217

Frequently Asked Questions

What is the IUPAC name of lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide?
The IUPAC name of lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide (CID 162090513) is lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide.
What is the SMILES notation for lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide?
The canonical SMILES for lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide is CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.COC(=O)c1cc(C2CC2)c(-c2ccc3c(ccn3C)c2)[nH]c1=O.CON(C)C(=O)CC1CC1.Cn1ccc2cc(-c3[nH]c(=O)c(C(=O)O)cc3C3CC3)ccc21.Cn1ccc2cc(/C(CC3CC3)=N\C(C)(C)C)ccc21.Cn1ccc2cc(Br)ccc21.Cn1ccc2cc(C(=O)CC3CC3)ccc21.[Li+].[OH-].[OH-].
What is the InChIKey of lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide?
The InChIKey is XAZWVGSDIZMCRV-WLKLXYIJSA-L. The full InChI is InChI=1S/C19H18N2O3.C18H16N2O3.C18H24N2.C14H15NO.C9H8BrN.C7H13NO2.C7H10O4.C4H11N.Li.2H2O/c1-21-8-7-12-9-13(5-6-16(12)21)17-14(11-3-4-11)10-15(18(22)20-17)19(23)24-2;1-20-7-6-11-8-12(4-5-15(11)20)16-13(10-2-3-10)9-14(18(22)23)17(21)19-16;1-18(2,3)19-16(11-13-5-6-13)14-7-8-17-15(12-14)9-10-20(17)4;1-15-7-6-11-9-12(4-5-13(11)15)14(16)8-10-2-3-10;1-11-5-4-7-6-8(10)2-3-9(7)11;1-8(10-2)7(9)5-6-3-4-6;1-4-5(6(8)10-2)7(9)11-3;1-4(2,3)5;;;/h5-11H,3-4H2,1-2H3,(H,20,22);4-10H,2-3H2,1H3,(H,19,21)(H,22,23);7-10,12-13H,5-6,11H2,1-4H3;4-7,9-10H,2-3,8H2,1H3;2-6H,1H3;6H,3-5H2,1-2H3;4H,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;+1;;/p-2/b;;19-16-;;;;;;;;.
What are the key properties of lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide?
lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide has a molecular weight of 1737.89 g/mol, XLogP of 15.45, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-bromo-1-methylindole;N-tert-butyl-2-cyclopropyl-1-(1-methylindol-5-yl)ethanimine;2-cyclopropyl-N-methoxy-N-methylacetamide;2-cyclopropyl-1-(1-methylindol-5-yl)ethanone;5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;dimethyl 2-ethylidenepropanedioate;methyl 5-cyclopropyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide is sourced from PubChem (CID 162090513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).