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

C52H42BrCl2F8LiN8O3 — CID 158295138

About 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

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 (PubChem CID 158295138) has the molecular formula C52H42BrCl2F8LiN8O3 and a molecular weight of 1136.70 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158295138
• Molecular Formula: C52H42BrCl2F8LiN8O3
• Molecular Weight: 1136.70 g/mol
• Exact Mass: 1134.20
• IUPAC Name: 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
• SMILES: C1CCOC1.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.O=C(c1c[nH]c2c(Cl)nccc12)C(F)(F)F.OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1c[nH]c2c(Cl)nccc12)C(F)(F)F.[CH2-]CCC.[Li+]
• InChI: InChI=1S/C22H13ClF4N4O.C13H8BrFN2.C9H4ClF3N2O.C4H8O.C4H9.Li/c23-20-19-16(7-8-28-20)17(11-29-19)21(32,22(25,26)27)13-1-6-18-12(9-13)10-30-31(18)15-4-2-14(24)3-5-15;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;10-8-6-4(1-2-14-8)5(3-15-6)7(16)9(11,12)13;1-2-4-5-3-1;1-3-4-2;/h1-11,29,32H;1-8H;1-3,15H;1-4H2;1,3-4H2,2H3;/q;;;;-1;+1
• InChIKey: ZXRUQACCQXRQBZ-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 139.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1136.70
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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;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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C1CCOC1.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.O=C(c1c[nH]c2c(Cl)nccc12)C(F)(F)F.OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1c[nH]c2c(Cl)nccc12)C(F)(F)F.[CH2-]CCC.[Li+].

What is the InChIKey of 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?

The InChIKey is ZXRUQACCQXRQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF4N4O.C13H8BrFN2.C9H4ClF3N2O.C4H8O.C4H9.Li/c23-20-19-16(7-8-28-20)17(11-29-19)21(32,22(25,26)27)13-1-6-18-12(9-13)10-30-31(18)15-4-2-14(24)3-5-15;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;10-8-6-4(1-2-14-8)5(3-15-6)7(16)9(11,12)13;1-2-4-5-3-1;1-3-4-2;/h1-11,29,32H;1-8H;1-3,15H;1-4H2;1,3-4H2,2H3;/q;;;;-1;+1.

What are the key properties of 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?

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 has a molecular weight of 1136.70 g/mol, XLogP of 11.80, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158295138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).