2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one

C105H106F10N24O10S — CID 157073042

About 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one

2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one (PubChem CID 157073042) has the molecular formula C105H106F10N24O10S and a molecular weight of 2086.21 g/mol. Its IUPAC name is 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one.

Molecular Properties

• Compound Name: 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one
• PubChem CID: 157073042
• Molecular Formula: C105H106F10N24O10S
• Molecular Weight: 2086.21 g/mol
• Exact Mass: 2084.81
• IUPAC Name: 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one
• SMILES: CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(CC#N)C(=O)C3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(c4cscn4)C(=O)C3(C)C)nc12.CC1(C)C(=O)N(C(=O)c2ccncn2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1.Cc1cc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)C5CC(O)(C(F)(F)F)C5)CC4(C)C)cn3n2)ccc1F
• InChI: InChI=1S/C29H33F4N5O3.C26H27FN6O2S.C25H19F4N7O3.C25H27FN6O2/c1-16(2)20-11-22(18-6-7-21(30)17(3)10-18)35-38-14-23(34-24(20)38)26(40)37-9-8-36(15-27(37,4)5)25(39)19-12-28(41,13-19)29(31,32)33;1-25(2,3)18-12-19(16-6-8-17(27)9-7-16)30-33-13-20(29-22(18)33)23(34)32-11-10-31(21-14-36-15-28-21)24(35)26(32,4)5;1-24(2)23(39)34(21(37)17-7-8-30-13-31-17)9-10-35(24)22(38)19-12-36-20(32-19)16(25(27,28)29)11-18(33-36)14-3-5-15(26)6-4-14;1-24(2,3)18-14-19(16-6-8-17(26)9-7-16)29-32-15-20(28-21(18)32)22(33)31-13-12-30(11-10-27)23(34)25(31,4)5/h6-7,10-11,14,16,19,41H,8-9,12-13,15H2,1-5H3;6-9,12-15H,10-11H2,1-5H3;3-8,11-13H,9-10H2,1-2H3;6-9,14-15H,11-13H2,1-5H3
• InChIKey: ACQOXWJRECXNEN-UHFFFAOYSA-N
• XLogP: 15.96
• TPSA: 383.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.21
LogP ≤ 5	15.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one?

The IUPAC name of 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one (CID 157073042) is 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one.

What is the SMILES notation for 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one?

The canonical SMILES for 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one is CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(CC#N)C(=O)C3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(c4cscn4)C(=O)C3(C)C)nc12.CC1(C)C(=O)N(C(=O)c2ccncn2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1.Cc1cc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)C5CC(O)(C(F)(F)F)C5)CC4(C)C)cn3n2)ccc1F.

What is the InChIKey of 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one?

The InChIKey is ACQOXWJRECXNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F4N5O3.C26H27FN6O2S.C25H19F4N7O3.C25H27FN6O2/c1-16(2)20-11-22(18-6-7-21(30)17(3)10-18)35-38-14-23(34-24(20)38)26(40)37-9-8-36(15-27(37,4)5)25(39)19-12-28(41,13-19)29(31,32)33;1-25(2,3)18-12-19(16-6-8-17(27)9-7-16)30-33-13-20(29-22(18)33)23(34)32-11-10-31(21-14-36-15-28-21)24(35)26(32,4)5;1-24(2)23(39)34(21(37)17-7-8-30-13-31-17)9-10-35(24)22(38)19-12-36-20(32-19)16(25(27,28)29)11-18(33-36)14-3-5-15(26)6-4-14;1-24(2,3)18-14-19(16-6-8-17(26)9-7-16)29-32-15-20(28-21(18)32)22(33)31-13-12-30(11-10-27)23(34)25(31,4)5/h6-7,10-11,14,16,19,41H,8-9,12-13,15H2,1-5H3;6-9,12-15H,10-11H2,1-5H3;3-8,11-13H,9-10H2,1-2H3;6-9,14-15H,11-13H2,1-5H3.

What are the key properties of 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one?

2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one has a molecular weight of 2086.21 g/mol, XLogP of 15.96, 13 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetonitrile;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1,3-thiazol-4-yl)piperazin-2-one;[4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(pyrimidine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 157073042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).