4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide

C70H58Br3F4I6N16O8S- — CID 158569775

About 4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide

4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide (PubChem CID 158569775) has the molecular formula C70H58Br3F4I6N16O8S- and a molecular weight of 2360.53 g/mol. Its IUPAC name is 4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide.

Molecular Properties

• Compound Name: 4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide
• PubChem CID: 158569775
• Molecular Formula: C70H58Br3F4I6N16O8S-
• Molecular Weight: 2360.53 g/mol
• Exact Mass: 2356.61
• IUPAC Name: 4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide
• SMILES: C.CC1(C)C(=O)NCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(-c3ccsc3)c2n1.CC1(C)C(=O)NCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1.I.II.I[I-]I.O=C(O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1
• InChI: InChI=1S/C23H20FN5O2S.C19H17BrFN5O2.C14H9BrFN3O2.C13H7BrFN3O2.CH4.I3.I2.HI/c1-23(2)22(31)25-8-9-28(23)21(30)19-12-29-20(26-19)17(15-7-10-32-13-15)11-18(27-29)14-3-5-16(24)6-4-14;1-19(2)18(28)22-7-8-25(19)17(27)15-10-26-16(23-15)13(20)9-14(24-26)11-3-5-12(21)6-4-11;1-21-14(20)12-7-19-13(17-12)10(15)6-11(18-19)8-2-4-9(16)5-3-8;14-9-5-10(7-1-3-8(15)4-2-7)17-18-6-11(13(19)20)16-12(9)18;;1-3-2;1-2;/h3-7,10-13H,8-9H2,1-2H3,(H,25,31);3-6,9-10H,7-8H2,1-2H3,(H,22,28);2-7H,1H3;1-6H,(H,19,20);1H4;;;1H/q;;;;;-1
• InChIKey: BIHOENLKHKXPDG-UHFFFAOYSA-N
• XLogP: 14.14
• TPSA: 283.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2360.53
LogP ≤ 5	14.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide?

The IUPAC name of 4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide (CID 158569775) is 4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide.

What is the SMILES notation for 4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide?

The canonical SMILES for 4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide is C.CC1(C)C(=O)NCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(-c3ccsc3)c2n1.CC1(C)C(=O)NCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1.COC(=O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1.I.II.I[I-]I.O=C(O)c1cn2nc(-c3ccc(F)cc3)cc(Br)c2n1.

What is the InChIKey of 4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide?

The InChIKey is BIHOENLKHKXPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2S.C19H17BrFN5O2.C14H9BrFN3O2.C13H7BrFN3O2.CH4.I3.I2.HI/c1-23(2)22(31)25-8-9-28(23)21(30)19-12-29-20(26-19)17(15-7-10-32-13-15)11-18(27-29)14-3-5-16(24)6-4-14;1-19(2)18(28)22-7-8-25(19)17(27)15-10-26-16(23-15)13(20)9-14(24-26)11-3-5-12(21)6-4-11;1-21-14(20)12-7-19-13(17-12)10(15)6-11(18-19)8-2-4-9(16)5-3-8;14-9-5-10(7-1-3-8(15)4-2-7)17-18-6-11(13(19)20)16-12(9)18;;1-3-2;1-2;/h3-7,10-13H,8-9H2,1-2H3,(H,25,31);3-6,9-10H,7-8H2,1-2H3,(H,22,28);2-7H,1H3;1-6H,(H,19,20);1H4;;;1H/q;;;;;-1;;.

What are the key properties of 4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide?

4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide has a molecular weight of 2360.53 g/mol, XLogP of 14.14, 9 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;4-[6-(4-fluorophenyl)-8-thiophen-3-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methane;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide is sourced from PubChem (CID 158569775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).