4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide

C69H73ClF3I6N14O8- — CID 158449509

About 4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide

4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide (PubChem CID 158449509) has the molecular formula C69H73ClF3I6N14O8- and a molecular weight of 2080.30 g/mol. Its IUPAC name is 4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide.

Molecular Properties

• Compound Name: 4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide
• PubChem CID: 158449509
• Molecular Formula: C69H73ClF3I6N14O8-
• Molecular Weight: 2080.30 g/mol
• Exact Mass: 2078.97
• IUPAC Name: 4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide
• SMILES: COC(=O)c1cn2nc(-c3ccc(F)c(C)c3)cc(C(C)C)c2n1.COC(=O)c1cn2nc(Cl)cc(C(C)C)c2n1.Cc1cc(-c2cc(C(C)C)c3nc(C(=O)N4CCNC(=O)C4(C)C)cn3n2)ccc1F.Cc1cc(-c2cc(C(C)C)c3nc(C(=O)O)cn3n2)ccc1F.I.II.I[I-]I
• InChI: InChI=1S/C23H26FN5O2.C18H18FN3O2.C17H16FN3O2.C11H12ClN3O2.I3.I2.HI/c1-13(2)16-11-18(15-6-7-17(24)14(3)10-15)27-29-12-19(26-20(16)29)21(30)28-9-8-25-22(31)23(28,4)5;1-10(2)13-8-15(12-5-6-14(19)11(3)7-12)21-22-9-16(18(23)24-4)20-17(13)22;1-9(2)12-7-14(11-4-5-13(18)10(3)6-11)20-21-8-15(17(22)23)19-16(12)21;1-6(2)7-4-9(12)14-15-5-8(11(16)17-3)13-10(7)15;1-3-2;1-2;/h6-7,10-13H,8-9H2,1-5H3,(H,25,31);5-10H,1-4H3;4-9H,1-3H3,(H,22,23);4-6H,1-3H3;;;1H/q;;;;-1
• InChIKey: LESJTYAXLGTWBJ-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 260.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.30
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide?

The IUPAC name of 4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide (CID 158449509) is 4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide.

What is the SMILES notation for 4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide?

The canonical SMILES for 4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide is COC(=O)c1cn2nc(-c3ccc(F)c(C)c3)cc(C(C)C)c2n1.COC(=O)c1cn2nc(Cl)cc(C(C)C)c2n1.Cc1cc(-c2cc(C(C)C)c3nc(C(=O)N4CCNC(=O)C4(C)C)cn3n2)ccc1F.Cc1cc(-c2cc(C(C)C)c3nc(C(=O)O)cn3n2)ccc1F.I.II.I[I-]I.

What is the InChIKey of 4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide?

The InChIKey is LESJTYAXLGTWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2.C18H18FN3O2.C17H16FN3O2.C11H12ClN3O2.I3.I2.HI/c1-13(2)16-11-18(15-6-7-17(24)14(3)10-15)27-29-12-19(26-20(16)29)21(30)28-9-8-25-22(31)23(28,4)5;1-10(2)13-8-15(12-5-6-14(19)11(3)7-12)21-22-9-16(18(23)24-4)20-17(13)22;1-9(2)12-7-14(11-4-5-13(18)10(3)6-11)20-21-8-15(17(22)23)19-16(12)21;1-6(2)7-4-9(12)14-15-5-8(11(16)17-3)13-10(7)15;1-3-2;1-2;/h6-7,10-13H,8-9H2,1-5H3,(H,25,31);5-10H,1-4H3;4-9H,1-3H3,(H,22,23);4-6H,1-3H3;;;1H/q;;;;-1;;.

What are the key properties of 4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide?

4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide has a molecular weight of 2080.30 g/mol, XLogP of 14.19, 11 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;methyl 6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydroiodide is sourced from PubChem (CID 158449509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).