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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea

C103H90BrCl3F6LiN33O5 — CID 172916935

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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea

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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (PubChem CID 172916935) has the molecular formula C103H90BrCl3F6LiN33O5 and a molecular weight of 2177.27 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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.

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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
• PubChem CID: 172916935
• Molecular Formula: C103H90BrCl3F6LiN33O5
• Molecular Weight: 2177.27 g/mol
• Exact Mass: 2173.61
• 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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
• SMILES: C/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1.C=C(OCC)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1.CC(=O)c1ccc2ncc(Cc3cc4cnn(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/C19H18FN5O.C18H17FN8O.C17H14FN5O.C15H11ClFN5O.C15H11ClFN5.C8H6BrFN2.C7H4ClN3O.C4H9.Li/c1-4-26-12(2)17-5-6-19-21-11-15(25(19)23-17)8-13-7-14-10-22-24(3)18(14)9-16(13)20;1-10(23-24-18(20)28)15-3-4-17-21-9-13(27(17)25-15)6-11-5-12-8-22-26(2)16(12)7-14(11)19;1-10(24)15-3-4-17-19-9-13(23(17)21-15)6-11-5-12-8-20-22(2)16(12)7-14(11)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;/h5-7,9-11H,2,4,8H2,1,3H3;3-5,7-9H,6H2,1-2H3,(H3,20,24,28);3-5,7-9H,6H2,1-2H3;2-7,15,23H,1H3;2-4,6-8H,5H2,1H3;2-4H,1H3;1-4H;1,3-4H2,2H3;/q;;;;;;;-1;+1/b;23-10+
• InChIKey: XOODATJYZOHGQZ-OQSWGLMBSA-N
• XLogP: 15.42
• TPSA: 419.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2177.27
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea (CID 172916935) 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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea.

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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is C/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1.C=C(OCC)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1.CC(=O)c1ccc2ncc(Cc3cc4cnn(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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

The InChIKey is XOODATJYZOHGQZ-OQSWGLMBSA-N. The full InChI is InChI=1S/C19H18FN5O.C18H17FN8O.C17H14FN5O.C15H11ClFN5O.C15H11ClFN5.C8H6BrFN2.C7H4ClN3O.C4H9.Li/c1-4-26-12(2)17-5-6-19-21-11-15(25(19)23-17)8-13-7-14-10-22-24(3)18(14)9-16(13)20;1-10(23-24-18(20)28)15-3-4-17-21-9-13(27(17)25-15)6-11-5-12-8-22-26(2)16(12)7-14(11)19;1-10(24)15-3-4-17-19-9-13(23(17)21-15)6-11-5-12-8-20-22(2)16(12)7-14(11)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;/h5-7,9-11H,2,4,8H2,1,3H3;3-5,7-9H,6H2,1-2H3,(H3,20,24,28);3-5,7-9H,6H2,1-2H3;2-7,15,23H,1H3;2-4,6-8H,5H2,1H3;2-4H,1H3;1-4H;1,3-4H2,2H3;/q;;;;;;;-1;+1/b;23-10+;;;;;;;.

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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea?

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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea has a molecular weight of 2177.27 g/mol, XLogP of 15.42, 18 rotatable bonds, 3 hydrogen bond donors, and 36 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-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazine;1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethanone;[(E)-1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea is sourced from PubChem (CID 172916935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).