[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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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

C105H129ClF5N25O9 — CID 160873635

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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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 160873635) has the molecular formula C105H129ClF5N25O9 and a molecular weight of 2015.80 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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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: 160873635
• Molecular Formula: C105H129ClF5N25O9
• Molecular Weight: 2015.80 g/mol
• Exact Mass: 2014.00
• 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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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: 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.Cc1cc(C2=Nn3cc(C(=O)N4CCNC(=O)C4(C)C)nc3C(C(C)C)C2)ccc1F.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/C28H31ClFN7O2.C27H36F2N8O2.C27H34FN5O3.C23H28FN5O2/c1-16-11-22(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;1-13(2)16-11-18(15-6-7-17(24)14(3)10-15)27-29-12-19(26-20(16)29)21(30)28-9-8-25-22(31)23(28,4)5/h7-8,11-14H,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;6-7,10,12-13,16H,8-9,11H2,1-5H3,(H,25,31)
• InChIKey: SMBZTOOXBFETRA-UHFFFAOYSA-N
• XLogP: 15.90
• TPSA: 382.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2015.80
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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 160873635) 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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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 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.Cc1cc(C2=Nn3cc(C(=O)N4CCNC(=O)C4(C)C)nc3C(C(C)C)C2)ccc1F.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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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 SMBZTOOXBFETRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClFN7O2.C27H36F2N8O2.C27H34FN5O3.C23H28FN5O2/c1-16-11-22(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;1-13(2)16-11-18(15-6-7-17(24)14(3)10-15)27-29-12-19(26-20(16)29)21(30)28-9-8-25-22(31)23(28,4)5/h7-8,11-14H,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;6-7,10,12-13,16H,8-9,11H2,1-5H3,(H,25,31).

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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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 2015.80 g/mol, XLogP of 15.90, 14 rotatable bonds, 4 hydrogen bond donors, and 24 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-(4,4-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-yl-7,8-dihydroimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;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 160873635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).