lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane

C82H74Br6F8LiN8NaO3 — CID 161411305

IUPAClithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane
SMILESBrc1ccc2cc[nH]c2c1.C1CCOC1.C=CCBr.C=CCn1cc(C(=O)C(F)(F)F)c2ccc(Br)cc21.C=CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccc(Br)cc21.C=CCn1ccc2ccc(Br)cc21.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.[CH2-]CCC.[H-].[Li+].[Na+]
InChIInChI=1S/C26H18BrF4N3O.C13H9BrF3NO.C13H8BrFN2.C11H10BrN.C8H6BrN.C4H8O.C4H9.C3H5Br.Li.Na.H/c1-2-11-33-15-22(21-9-4-18(27)13-24(21)33)25(35,26(29,30)31)17-3-10-23-16(12-17)14-32-34(23)20-7-5-19(28)6-8-20;1-2-5-18-7-10(12(19)13(15,16)17)9-4-3-8(14)6-11(9)18;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-2-6-13-7-5-9-3-4-10(12)8-11(9)13;9-7-2-1-6-3-4-10-8(6)5-7;1-2-4-5-3-1;1-3-4-2;1-2-3-4;;;/h2-10,12-15,35H,1,11H2;2-4,6-7H,1,5H2;1-8H;2-5,7-8H,1,6H2;1-5,10H;1-4H2;1,3-4H2,2H3;2H,1,3H2;;;/q;;;;;;-1;;2*+1;-1
InChIKeyNCYRBILWWCNELD-UHFFFAOYSA-N
MW1880.89 g/mol
LogP19.75
Rot. Bonds13

About lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane

lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane (PubChem CID 161411305) has the molecular formula C82H74Br6F8LiN8NaO3 and a molecular weight of 1880.89 g/mol. Its IUPAC name is lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane.

Molecular Properties

Compound Namelithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane
PubChem CID161411305
Molecular FormulaC82H74Br6F8LiN8NaO3
Molecular Weight1880.89 g/mol
Exact Mass1874.09
IUPAC Namelithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane
SMILESBrc1ccc2cc[nH]c2c1.C1CCOC1.C=CCBr.C=CCn1cc(C(=O)C(F)(F)F)c2ccc(Br)cc21.C=CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccc(Br)cc21.C=CCn1ccc2ccc(Br)cc21.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.[CH2-]CCC.[H-].[Li+].[Na+]
InChIInChI=1S/C26H18BrF4N3O.C13H9BrF3NO.C13H8BrFN2.C11H10BrN.C8H6BrN.C4H8O.C4H9.C3H5Br.Li.Na.H/c1-2-11-33-15-22(21-9-4-18(27)13-24(21)33)25(35,26(29,30)31)17-3-10-23-16(12-17)14-32-34(23)20-7-5-19(28)6-8-20;1-2-5-18-7-10(12(19)13(15,16)17)9-4-3-8(14)6-11(9)18;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-2-6-13-7-5-9-3-4-10(12)8-11(9)13;9-7-2-1-6-3-4-10-8(6)5-7;1-2-4-5-3-1;1-3-4-2;1-2-3-4;;;/h2-10,12-15,35H,1,11H2;2-4,6-7H,1,5H2;1-8H;2-5,7-8H,1,6H2;1-5,10H;1-4H2;1,3-4H2,2H3;2H,1,3H2;;;/q;;;;;;-1;;2*+1;-1
InChIKeyNCYRBILWWCNELD-UHFFFAOYSA-N
XLogP19.75
TPSA112.75 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001880.89
LogP ≤ 519.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane with MolForge

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Related Compounds

copper;lithium;5-bromo-1H-indazole;butane;carbanide;bis(carbon dioxide);3-(1,3,2-dioxaborinan-2-yl)pyridine;ethoxyethane;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol;2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone;2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol
CID 157643240
Lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;dichloro(methoxy)methane;4-formyl-1-prop-2-enylpyrrole-2-carbonitrile;oxolane;1-prop-2-enylpyrrole-2-carbonitrile;1-prop-2-enyl-4-(2,2,2-trifluoroacetyl)pyrrole-2-carbonitrile;1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carbonitrile;1-prop-2-enyl-4-(2,2,2-trifluoro-1-hydroxyethyl)pyrrole-2-carbonitrile;trichloroalumane
CID 157858648
lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;1-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2,2,2-trifluoroethanone;1-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;oxolane
CID 158295138
1-bromo-3-(trifluoromethyl)benzene;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indole-5-carboxylic acid;1-[1-(3-methylphenyl)indol-5-yl]ethanone;trans-(1R,2R)-1,2-diethylcyclohexane;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone
CID 158303325
5-bromo-1-(4-fluorophenyl)indazole;6-methyl-3-(2,2,2-trifluoroacetyl)-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 158325446
5-bromo-1H-indazole;5-bromo-1-pyridin-3-ylindazole;2-iodoacetamide;pyridin-3-ylboronic acid;2-[3-[2,2,2-trifluoro-1-hydroxy-1-(1-pyridin-3-ylindazol-5-yl)ethyl]indol-1-yl]acetamide;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone;2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol
CID 160786731
lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;oxolane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 160822704
lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;3-bromoprop-1-ene;butane;ethyl 1-prop-2-enylpyrrole-2-carboxylate;ethyl 1-prop-2-enyl-4-(2,2,2-trifluoroacetyl)pyrrole-2-carboxylate;ethyl 1-prop-2-enyl-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrole-2-carboxylate;ethyl 1H-pyrrole-2-carboxylate;hydride;oxolane
CID 161337035
sodium;5-bromo-1-(4-fluorophenyl)indazole;3-bromoprop-1-ene;hydride;1H-indole;1-prop-2-enylindole;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1-prop-2-enylindol-3-yl)ethanol;bis(2,2,2-trifluoro-1-(1-prop-2-enylindol-3-yl)ethanone)
CID 161803125
CID 172918297
CID 172918297
CID 172962856
CID 172962856
5-Bromo-1-(4-fluorophenyl)indazole;1-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-ol;[1-(4-fluorophenyl)indazol-5-yl]-(1-prop-2-enylindol-3-yl)methanol;[1-(4-fluorophenyl)indazol-5-yl]-(1-prop-2-enylindol-3-yl)methanone;1-prop-2-enylindole-3-carbaldehyde
CID 160439082

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane?
The IUPAC name of lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane (CID 161411305) is lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane.
What is the SMILES notation for lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane?
The canonical SMILES for lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane is Brc1ccc2cc[nH]c2c1.C1CCOC1.C=CCBr.C=CCn1cc(C(=O)C(F)(F)F)c2ccc(Br)cc21.C=CCn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2ccc(Br)cc21.C=CCn1ccc2ccc(Br)cc21.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.[CH2-]CCC.[H-].[Li+].[Na+].
What is the InChIKey of lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane?
The InChIKey is NCYRBILWWCNELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18BrF4N3O.C13H9BrF3NO.C13H8BrFN2.C11H10BrN.C8H6BrN.C4H8O.C4H9.C3H5Br.Li.Na.H/c1-2-11-33-15-22(21-9-4-18(27)13-24(21)33)25(35,26(29,30)31)17-3-10-23-16(12-17)14-32-34(23)20-7-5-19(28)6-8-20;1-2-5-18-7-10(12(19)13(15,16)17)9-4-3-8(14)6-11(9)18;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-2-6-13-7-5-9-3-4-10(12)8-11(9)13;9-7-2-1-6-3-4-10-8(6)5-7;1-2-4-5-3-1;1-3-4-2;1-2-3-4;;;/h2-10,12-15,35H,1,11H2;2-4,6-7H,1,5H2;1-8H;2-5,7-8H,1,6H2;1-5,10H;1-4H2;1,3-4H2,2H3;2H,1,3H2;;;/q;;;;;;-1;;2*+1;-1.
What are the key properties of lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane?
lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane has a molecular weight of 1880.89 g/mol, XLogP of 19.75, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;5-bromo-1-(4-fluorophenyl)indazole;6-bromo-1H-indole;3-bromoprop-1-ene;6-bromo-1-prop-2-enylindole;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoroethanone;1-(6-bromo-1-prop-2-enylindol-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;butane;hydride;oxolane is sourced from PubChem (CID 161411305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).