lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol

C106H96BrCl3F6LiN31O6 — CID 172967081

About lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol

lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol (PubChem CID 172967081) has the molecular formula C106H96BrCl3F6LiN31O6 and a molecular weight of 2207.34 g/mol. Its IUPAC name is lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol.

Molecular Properties

• Compound Name: lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
• PubChem CID: 172967081
• Molecular Formula: C106H96BrCl3F6LiN31O6
• Molecular Weight: 2207.34 g/mol
• Exact Mass: 2203.65
• IUPAC Name: lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
• SMILES: C/C(=N\OCCO)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1.C=C(OCC)c1ccc2ncc(C(C)c3cc4cnn(C)c4cc3F)n2n1.CC(=O)c1ccc2ncc(C(C)c3cc4cnn(C)c4cc3F)n2n1.Cn1ncc2cc(Br)c(F)cc21.Cn1ncc2cc(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(Cc3cnc4ccc(Cl)nn34)c(F)cc21.O=Cc1cnc2ccc(Cl)nn12.[CH2-]CCC.[Li+]
• InChI: InChI=1S/C20H20FN5O.C19H19FN6O2.C18H16FN5O.C15H11ClFN5O.C15H11ClFN5.C8H6BrFN2.C7H4ClN3O.C4H9.Li/c1-5-27-13(3)17-6-7-20-22-11-19(26(20)24-17)12(2)15-8-14-10-23-25(4)18(14)9-16(15)21;1-12(24-28-6-5-27)17-3-4-19-21-11-15(26(19)23-17)8-13-7-14-10-22-25(2)18(14)9-16(13)20;1-10(13-6-12-8-21-23(3)16(12)7-14(13)19)17-9-20-18-5-4-15(11(2)25)22-24(17)18;1-21-11-5-10(17)9(4-8(11)6-19-21)15(23)12-7-18-14-3-2-13(16)20-22(12)14;1-21-13-6-12(17)9(4-10(13)7-19-21)5-11-8-18-15-3-2-14(16)20-22(11)15;1-12-8-3-7(10)6(9)2-5(8)4-11-12;8-6-1-2-7-9-3-5(4-12)11(7)10-6;1-3-4-2;/h6-12H,3,5H2,1-2,4H3;3-4,7,9-11,27H,5-6,8H2,1-2H3;4-10H,1-3H3;2-7,15,23H,1H3;2-4,6-8H,5H2,1H3;2-4H,1H3;1-4H;1,3-4H2,2H3;/q;;;;;;;-1;+1/b;24-12+
• InChIKey: CUXMNDQVTDEVQO-ZTIJRTKASA-N
• XLogP: 16.89
• TPSA: 393.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2207.34
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?

The IUPAC name of lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol (CID 172967081) is lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol.

What is the SMILES notation for lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?

The canonical SMILES for lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol is C/C(=N\OCCO)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1.C=C(OCC)c1ccc2ncc(C(C)c3cc4cnn(C)c4cc3F)n2n1.CC(=O)c1ccc2ncc(C(C)c3cc4cnn(C)c4cc3F)n2n1.Cn1ncc2cc(Br)c(F)cc21.Cn1ncc2cc(C(O)c3cnc4ccc(Cl)nn34)c(F)cc21.Cn1ncc2cc(Cc3cnc4ccc(Cl)nn34)c(F)cc21.O=Cc1cnc2ccc(Cl)nn12.[CH2-]CCC.[Li+].

What is the InChIKey of lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?

The InChIKey is CUXMNDQVTDEVQO-ZTIJRTKASA-N. The full InChI is InChI=1S/C20H20FN5O.C19H19FN6O2.C18H16FN5O.C15H11ClFN5O.C15H11ClFN5.C8H6BrFN2.C7H4ClN3O.C4H9.Li/c1-5-27-13(3)17-6-7-20-22-11-19(26(20)24-17)12(2)15-8-14-10-23-25(4)18(14)9-16(15)21;1-12(24-28-6-5-27)17-3-4-19-21-11-15(26(19)23-17)8-13-7-14-10-22-25(2)18(14)9-16(13)20;1-10(13-6-12-8-21-23(3)16(12)7-14(13)19)17-9-20-18-5-4-15(11(2)25)22-24(17)18;1-21-11-5-10(17)9(4-8(11)6-19-21)15(23)12-7-18-14-3-2-13(16)20-22(12)14;1-21-13-6-12(17)9(4-10(13)7-19-21)5-11-8-18-15-3-2-14(16)20-22(11)15;1-12-8-3-7(10)6(9)2-5(8)4-11-12;8-6-1-2-7-9-3-5(4-12)11(7)10-6;1-3-4-2;/h6-12H,3,5H2,1-2,4H3;3-4,7,9-11,27H,5-6,8H2,1-2H3;4-10H,1-3H3;2-7,15,23H,1H3;2-4,6-8H,5H2,1H3;2-4H,1H3;1-4H;1,3-4H2,2H3;/q;;;;;;;-1;+1/b;24-12+;;;;;;;.

What are the key properties of lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?

lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol has a molecular weight of 2207.34 g/mol, XLogP of 16.89, 20 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;5-bromo-6-fluoro-1-methylindazole;butane;6-chloro-3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine-3-carbaldehyde;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(6-fluoro-1-methylindazol-5-yl)methanol;6-(1-ethoxyethenyl)-3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazine;1-[3-[1-(6-fluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;2-[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol is sourced from PubChem (CID 172967081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).