1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one

C112H139F7N20O12 — CID 159155560

About 1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one

1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one (PubChem CID 159155560) has the molecular formula C112H139F7N20O12 and a molecular weight of 2090.46 g/mol. Its IUPAC name is 1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one.

Molecular Properties

• Compound Name: 1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one
• PubChem CID: 159155560
• Molecular Formula: C112H139F7N20O12
• Molecular Weight: 2090.46 g/mol
• Exact Mass: 2089.08
• IUPAC Name: 1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one
• SMILES: CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)nc12.CC(C)(O)C(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)[C@H](O)CC(C)(C)C)C[C@@H]3C)nc12.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)[C@H](O)CC(C)(C)C)C[C@H]3C)nc12
• InChI: InChI=1S/C29H33F4N5O3.2C28H36FN5O3.C27H34FN5O3/c1-26(2,3)20-12-21(17-6-8-19(30)9-7-17)35-38-15-22(34-23(20)38)25(40)37-11-10-36(16-27(37,4)5)24(39)18-13-28(41,14-18)29(31,32)33;2*1-17(2)21-13-22(19-7-9-20(29)10-8-19)31-34-16-23(30-25(21)34)26(36)33-12-11-32(15-18(33)3)27(37)24(35)14-28(4,5)6;1-25(2,3)19-14-20(17-8-10-18(28)11-9-17)30-33-15-21(29-22(19)33)23(34)32-13-12-31(16-26(32,4)5)24(35)27(6,7)36/h6-9,12,15,18,41H,10-11,13-14,16H2,1-5H3;2*7-10,13,16-18,24,35H,11-12,14-15H2,1-6H3;8-11,14-15,36H,12-13,16H2,1-7H3/t;18-,24+;18-,24-;/m.01./s1
• InChIKey: KJVRJBGZDAOYFQ-BLRIJPCQSA-N
• XLogP: 16.52
• TPSA: 364.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2090.46
LogP ≤ 5	16.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one?

The IUPAC name of 1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one (CID 159155560) is 1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one.

What is the SMILES notation for 1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one?

The canonical SMILES for 1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one is CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)nc12.CC(C)(O)C(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)[C@H](O)CC(C)(C)C)C[C@@H]3C)nc12.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)[C@H](O)CC(C)(C)C)C[C@H]3C)nc12.

What is the InChIKey of 1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one?

The InChIKey is KJVRJBGZDAOYFQ-BLRIJPCQSA-N. The full InChI is InChI=1S/C29H33F4N5O3.2C28H36FN5O3.C27H34FN5O3/c1-26(2,3)20-12-21(17-6-8-19(30)9-7-17)35-38-15-22(34-23(20)38)25(40)37-11-10-36(16-27(37,4)5)24(39)18-13-28(41,14-18)29(31,32)33;2*1-17(2)21-13-22(19-7-9-20(29)10-8-19)31-34-16-23(30-25(21)34)26(36)33-12-11-32(15-18(33)3)27(37)24(35)14-28(4,5)6;1-25(2,3)19-14-20(17-8-10-18(28)11-9-17)30-33-15-21(29-22(19)33)23(34)32-13-12-31(16-26(32,4)5)24(35)27(6,7)36/h6-9,12,15,18,41H,10-11,13-14,16H2,1-5H3;2*7-10,13,16-18,24,35H,11-12,14-15H2,1-6H3;8-11,14-15,36H,12-13,16H2,1-7H3/t;18-,24+;18-,24-;/m.01./s1.

What are the key properties of 1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one?

1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one has a molecular weight of 2090.46 g/mol, XLogP of 16.52, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;(2R)-1-[(3R)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(3S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one is sourced from PubChem (CID 159155560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).