4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide

C64H77Cl3F3I6N16O9- — CID 159976136

About 4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide

4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide (PubChem CID 159976136) has the molecular formula C64H77Cl3F3I6N16O9- and a molecular weight of 2139.20 g/mol. Its IUPAC name is 4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide.

Molecular Properties

• Compound Name: 4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide
• PubChem CID: 159976136
• Molecular Formula: C64H77Cl3F3I6N16O9-
• Molecular Weight: 2139.20 g/mol
• Exact Mass: 2136.94
• IUPAC Name: 4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide
• SMILES: CC(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12.CC(C)(C)c1cc(Cl)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12.CC(C)(C)c1cc(Cl)nn2cc(C(=O)O)nc12.COC(=O)c1cn2nc(Cl)cc(C(C)(C)C)c2n1.I.II.I[I-]I.O
• InChI: InChI=1S/C24H26F3N5O2.C17H22ClN5O2.C12H14ClN3O2.C11H12ClN3O2.I3.I2.HI.H2O/c1-22(2,3)16-12-17(14-6-8-15(9-7-14)24(25,26)27)30-32-13-18(29-19(16)32)20(33)31-11-10-28-21(34)23(31,4)5;1-16(2,3)10-8-12(18)21-23-9-11(20-13(10)23)14(24)22-7-6-19-15(25)17(22,4)5;1-12(2,3)7-5-9(13)15-16-6-8(11(17)18-4)14-10(7)16;1-11(2,3)6-4-8(12)14-15-5-7(10(16)17)13-9(6)15;1-3-2;1-2;;/h6-9,12-13H,10-11H2,1-5H3,(H,28,34);8-9H,6-7H2,1-5H3,(H,19,25);5-6H,1-4H3;4-5H,1-3H3,(H,16,17);;;1H;1H2/q;;;;-1
• InChIKey: KLHXNRJVGWLRKK-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 314.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 5
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2139.20
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	3
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-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide?

The IUPAC name of 4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide (CID 159976136) is 4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide.

What is the SMILES notation for 4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide?

The canonical SMILES for 4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide is CC(C)(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12.CC(C)(C)c1cc(Cl)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12.CC(C)(C)c1cc(Cl)nn2cc(C(=O)O)nc12.COC(=O)c1cn2nc(Cl)cc(C(C)(C)C)c2n1.I.II.I[I-]I.O.

What is the InChIKey of 4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide?

The InChIKey is KLHXNRJVGWLRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2.C17H22ClN5O2.C12H14ClN3O2.C11H12ClN3O2.I3.I2.HI.H2O/c1-22(2,3)16-12-17(14-6-8-15(9-7-14)24(25,26)27)30-32-13-18(29-19(16)32)20(33)31-11-10-28-21(34)23(31,4)5;1-16(2,3)10-8-12(18)21-23-9-11(20-13(10)23)14(24)22-7-6-19-15(25)17(22,4)5;1-12(2,3)7-5-9(13)15-16-6-8(11(17)18-4)14-10(7)16;1-11(2,3)6-4-8(12)14-15-5-7(10(16)17)13-9(6)15;1-3-2;1-2;;/h6-9,12-13H,10-11H2,1-5H3,(H,28,34);8-9H,6-7H2,1-5H3,(H,19,25);5-6H,1-4H3;4-5H,1-3H3,(H,16,17);;;1H;1H2/q;;;;-1;;;.

What are the key properties of 4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide?

4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide has a molecular weight of 2139.20 g/mol, XLogP of 11.28, 5 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one;8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid;4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate;molecular iodine;triiodide;hydrate;hydroiodide is sourced from PubChem (CID 159976136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).