lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

C71H73BrClF11LiN13O11S3 — CID 159886664

About lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (PubChem CID 159886664) has the molecular formula C71H73BrClF11LiN13O11S3 and a molecular weight of 1711.92 g/mol. Its IUPAC name is lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

Molecular Properties

• Compound Name: lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
• PubChem CID: 159886664
• Molecular Formula: C71H73BrClF11LiN13O11S3
• Molecular Weight: 1711.92 g/mol
• Exact Mass: 1709.36
• IUPAC Name: lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
• SMILES: C1CCOC1.C1CCOC1.CN(C)S(=O)(=O)Cl.CN(C)S(=O)(=O)n1cc(C(=O)C(F)(F)F)c2cccnc21.CN(C)S(=O)(=O)n1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccnc21.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.O=C(c1c[nH]c2ncccc12)C(F)(F)F.[CH2-]CCC.[Li+]
• InChI: InChI=1S/C24H19F4N5O3S.C13H8BrFN2.C11H10F3N3O3S.C9H5F3N2O.2C4H8O.C4H9.C2H6ClNO2S.Li/c1-31(2)37(35,36)32-14-20(19-4-3-11-29-22(19)32)23(34,24(26,27)28)16-5-10-21-15(12-16)13-30-33(21)18-8-6-17(25)7-9-18;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-16(2)21(19,20)17-6-8(9(18)11(12,13)14)7-4-3-5-15-10(7)17;10-9(11,12)7(15)6-4-14-8-5(6)2-1-3-13-8;2*1-2-4-5-3-1;1-3-4-2;1-4(2)7(3,5)6;/h3-14,34H,1-2H3;1-8H;3-6H,1-2H3;1-4H,(H,13,14);2*1-4H2;1,3-4H2,2H3;1-2H3;/q;;;;;;-1;;+1
• InChIKey: BACCRTUDMMQXKO-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 284.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1711.92
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?

The IUPAC name of lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CID 159886664) is lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

What is the SMILES notation for lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?

The canonical SMILES for lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is C1CCOC1.C1CCOC1.CN(C)S(=O)(=O)Cl.CN(C)S(=O)(=O)n1cc(C(=O)C(F)(F)F)c2cccnc21.CN(C)S(=O)(=O)n1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccnc21.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.O=C(c1c[nH]c2ncccc12)C(F)(F)F.[CH2-]CCC.[Li+].

What is the InChIKey of lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?

The InChIKey is BACCRTUDMMQXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O3S.C13H8BrFN2.C11H10F3N3O3S.C9H5F3N2O.2C4H8O.C4H9.C2H6ClNO2S.Li/c1-31(2)37(35,36)32-14-20(19-4-3-11-29-22(19)32)23(34,24(26,27)28)16-5-10-21-15(12-16)13-30-33(21)18-8-6-17(25)7-9-18;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-16(2)21(19,20)17-6-8(9(18)11(12,13)14)7-4-3-5-15-10(7)17;10-9(11,12)7(15)6-4-14-8-5(6)2-1-3-13-8;2*1-2-4-5-3-1;1-3-4-2;1-4(2)7(3,5)6;/h3-14,34H,1-2H3;1-8H;3-6H,1-2H3;1-4H,(H,13,14);2*1-4H2;1,3-4H2,2H3;1-2H3;/q;;;;;;-1;;+1.

What are the key properties of lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?

lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone has a molecular weight of 1711.92 g/mol, XLogP of 11.89, 12 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;5-bromo-1-(4-fluorophenyl)indazole;butane;N,N-dimethylsulfamoyl chloride;N,N-dimethyl-3-(2,2,2-trifluoroacetyl)pyrrolo[2,3-b]pyridine-1-sulfonamide;N,N-dimethyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridine-1-sulfonamide;oxolane;2,2,2-trifluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 159886664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).