[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one

C110H132Cl2F5N27O9 — CID 162022131

About [4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one

[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one (PubChem CID 162022131) has the molecular formula C110H132Cl2F5N27O9 and a molecular weight of 2142.34 g/mol. Its IUPAC name is [4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

• Compound Name: [4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one
• PubChem CID: 162022131
• Molecular Formula: C110H132Cl2F5N27O9
• Molecular Weight: 2142.34 g/mol
• Exact Mass: 2140.00
• IUPAC Name: [4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one
• SMILES: CC1=NC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(Cl)c(F)c5)cc(C(C)(C)C)c4n3)C(C)(C)C2)=NC1.Cc1cc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(CC(C)(C)O)C(=O)C4(C)C)cn3n2)ccc1F.Cc1cc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(Cl)c(F)c5)cc(C(C)(C)C)c4n3)C(C)(C)C2)n[nH]1.Cc1nc(C(=O)N2CCN(C(=O)c3cn4nc(C5CCC(F)(F)CC5)cc(C(C)(C)C)c4n3)C(C)(C)C2)n[nH]1
• InChI: InChI=1S/2C28H31ClFN7O2.C27H36F2N8O2.C27H34FN5O3/c1-16-13-31-23(32-16)26(39)35-9-10-36(28(5,6)15-35)25(38)22-14-37-24(33-22)18(27(2,3)4)12-21(34-37)17-7-8-19(29)20(30)11-17;1-16-11-22(33-32-16)25(38)35-9-10-36(28(5,6)15-35)26(39)23-14-37-24(31-23)18(27(2,3)4)13-21(34-37)17-7-8-19(29)20(30)12-17;1-16-30-21(33-32-16)24(39)35-11-12-36(26(5,6)15-35)23(38)20-14-37-22(31-20)18(25(2,3)4)13-19(34-37)17-7-9-27(28,29)10-8-17;1-16(2)19-13-21(18-8-9-20(28)17(3)12-18)30-33-14-22(29-23(19)33)24(34)32-11-10-31(15-26(4,5)36)25(35)27(32,6)7/h7-8,11-12,14H,9-10,13,15H2,1-6H3;7-8,11-14H,9-10,15H2,1-6H3,(H,32,33);13-14,17H,7-12,15H2,1-6H3,(H,30,32,33);8-9,12-14,16,36H,10-11,15H2,1-7H3
• InChIKey: YUWOPZNKWSVXKF-UHFFFAOYSA-N
• XLogP: 17.24
• TPSA: 398.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2142.34
LogP ≤ 5	17.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one?

The IUPAC name of [4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one (CID 162022131) is [4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one.

What is the SMILES notation for [4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one?

The canonical SMILES for [4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one is CC1=NC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(Cl)c(F)c5)cc(C(C)(C)C)c4n3)C(C)(C)C2)=NC1.Cc1cc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(CC(C)(C)O)C(=O)C4(C)C)cn3n2)ccc1F.Cc1cc(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(Cl)c(F)c5)cc(C(C)(C)C)c4n3)C(C)(C)C2)n[nH]1.Cc1nc(C(=O)N2CCN(C(=O)c3cn4nc(C5CCC(F)(F)CC5)cc(C(C)(C)C)c4n3)C(C)(C)C2)n[nH]1.

What is the InChIKey of [4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one?

The InChIKey is YUWOPZNKWSVXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H31ClFN7O2.C27H36F2N8O2.C27H34FN5O3/c1-16-13-31-23(32-16)26(39)35-9-10-36(28(5,6)15-35)25(38)22-14-37-24(33-22)18(27(2,3)4)12-21(34-37)17-7-8-19(29)20(30)11-17;1-16-11-22(33-32-16)25(38)35-9-10-36(28(5,6)15-35)26(39)23-14-37-24(31-23)18(27(2,3)4)13-21(34-37)17-7-8-19(29)20(30)12-17;1-16-30-21(33-32-16)24(39)35-11-12-36(26(5,6)15-35)23(38)20-14-37-22(31-20)18(25(2,3)4)13-19(34-37)17-7-9-27(28,29)10-8-17;1-16(2)19-13-21(18-8-9-20(28)17(3)12-18)30-33-14-22(29-23(19)33)24(34)32-11-10-31(15-26(4,5)36)25(35)27(32,6)7/h7-8,11-12,14H,9-10,13,15H2,1-6H3;7-8,11-14H,9-10,15H2,1-6H3,(H,32,33);13-14,17H,7-12,15H2,1-6H3,(H,30,32,33);8-9,12-14,16,36H,10-11,15H2,1-7H3.

What are the key properties of [4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one?

[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 2142.34 g/mol, XLogP of 17.24, 14 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1-(2-hydroxy-2-methylpropyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 162022131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).