tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide

C63H75F3I3N13O6 — CID 157447860

About tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide

tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide (PubChem CID 157447860) has the molecular formula C63H75F3I3N13O6 and a molecular weight of 1548.08 g/mol. Its IUPAC name is tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide.

Molecular Properties

• Compound Name: tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide
• PubChem CID: 157447860
• Molecular Formula: C63H75F3I3N13O6
• Molecular Weight: 1548.08 g/mol
• Exact Mass: 1547.30
• IUPAC Name: tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide
• SMILES: C.CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3(C)C)nc12.CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCNCC3(C)C)nc12.CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.I.II.[H][H]
• InChI: InChI=1S/C26H32FN5O3.C21H24FN5O.C15H12FN3O2.CH4.I2.HI.H2/c1-7-17-14-20(18-8-10-19(27)11-9-18)29-32-15-21(28-22(17)32)23(33)31-13-12-30(16-26(31,5)6)24(34)35-25(2,3)4;1-4-14-11-17(15-5-7-16(22)8-6-15)25-27-12-18(24-19(14)27)20(28)26-10-9-23-13-21(26,2)3;1-2-9-7-12(10-3-5-11(16)6-4-10)18-19-8-13(15(20)21)17-14(9)19;;1-2;;/h8-11,14-15H,7,12-13,16H2,1-6H3;5-8,11-12,23H,4,9-10,13H2,1-3H3;3-8H,2H2,1H3,(H,20,21);1H4;;2*1H
• InChIKey: ONQIPLKHSCBLPR-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 210.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1548.08
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide?

The IUPAC name of tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide (CID 157447860) is tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide.

What is the SMILES notation for tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide?

The canonical SMILES for tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide is C.CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3(C)C)nc12.CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCNCC3(C)C)nc12.CCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.I.II.[H][H].

What is the InChIKey of tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide?

The InChIKey is ONQIPLKHSCBLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O3.C21H24FN5O.C15H12FN3O2.CH4.I2.HI.H2/c1-7-17-14-20(18-8-10-19(27)11-9-18)29-32-15-21(28-22(17)32)23(33)31-13-12-30(16-26(31,5)6)24(34)35-25(2,3)4;1-4-14-11-17(15-5-7-16(22)8-6-15)25-27-12-18(24-19(14)27)20(28)26-10-9-23-13-21(26,2)3;1-2-9-7-12(10-3-5-11(16)6-4-10)18-19-8-13(15(20)21)17-14(9)19;;1-2;;/h8-11,14-15H,7,12-13,16H2,1-6H3;5-8,11-12,23H,4,9-10,13H2,1-3H3;3-8H,2H2,1H3,(H,20,21);1H4;;2*1H.

What are the key properties of tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide?

tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide has a molecular weight of 1548.08 g/mol, XLogP of 13.56, 9 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methane;molecular hydrogen;molecular iodine;hydroiodide is sourced from PubChem (CID 157447860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).