[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone

C114H123F10N25O9 — CID 158088306

About [3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone

[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone (PubChem CID 158088306) has the molecular formula C114H123F10N25O9 and a molecular weight of 2177.38 g/mol. Its IUPAC name is [3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone.

Molecular Properties

• Compound Name: [3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone
• PubChem CID: 158088306
• Molecular Formula: C114H123F10N25O9
• Molecular Weight: 2177.38 g/mol
• Exact Mass: 2175.98
• IUPAC Name: [3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone
• SMILES: CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)C4CC(C)(O)C4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4ncccn4)CC3(C)C)nc12.CC1=NC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(C(F)(F)F)cc5)cc(C(C)C)c4n3)C(C)(C)C2)=CC1.Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)c5ncccn5)CC4(C)C)cn3n2)cc1F
• InChI: InChI=1S/C29H31F3N6O2.C29H34F3N5O3.C28H28F3N7O2.C28H30FN7O2/c1-17(2)21-14-23(19-7-9-20(10-8-19)29(30,31)32)35-38-15-24(34-25(21)38)27(40)37-13-12-36(16-28(37,4)5)26(39)22-11-6-18(3)33-22;1-17(2)21-12-22(18-6-8-20(9-7-18)29(30,31)32)34-37-15-23(33-24(21)37)26(39)36-11-10-35(16-27(36,3)4)25(38)19-13-28(5,40)14-19;1-17(2)20-14-21(18-6-8-19(9-7-18)28(29,30)31)35-38-15-22(34-24(20)38)25(39)37-13-12-36(16-27(37,3)4)26(40)23-32-10-5-11-33-23;1-17(2)20-14-22(19-8-7-18(3)21(29)13-19)33-36-15-23(32-25(20)36)26(37)35-12-11-34(16-28(35,4)5)27(38)24-30-9-6-10-31-24/h7-11,14-15,17H,6,12-13,16H2,1-5H3;6-9,12,15,17,19,40H,10-11,13-14,16H2,1-5H3;5-11,14-15,17H,12-13,16H2,1-4H3;6-10,13-15,17H,11-12,16H2,1-5H3
• InChIKey: FNTZEFLHUBZOAD-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 367.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2177.38
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone?

The IUPAC name of [3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone (CID 158088306) is [3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone.

What is the SMILES notation for [3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone?

The canonical SMILES for [3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone is CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)C4CC(C)(O)C4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(C(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4ncccn4)CC3(C)C)nc12.CC1=NC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(C(F)(F)F)cc5)cc(C(C)C)c4n3)C(C)(C)C2)=CC1.Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)c5ncccn5)CC4(C)C)cn3n2)cc1F.

What is the InChIKey of [3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone?

The InChIKey is FNTZEFLHUBZOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N6O2.C29H34F3N5O3.C28H28F3N7O2.C28H30FN7O2/c1-17(2)21-14-23(19-7-9-20(10-8-19)29(30,31)32)35-38-15-24(34-25(21)38)27(40)37-13-12-36(16-28(37,4)5)26(39)22-11-6-18(3)33-22;1-17(2)21-12-22(18-6-8-20(9-7-18)29(30,31)32)34-37-15-23(33-24(21)37)26(39)36-11-10-35(16-27(36,3)4)25(38)19-13-28(5,40)14-19;1-17(2)20-14-21(18-6-8-19(9-7-18)28(29,30)31)35-38-15-22(34-24(20)38)25(39)37-13-12-36(16-27(37,3)4)26(40)23-32-10-5-11-33-23;1-17(2)20-14-22(19-8-7-18(3)21(29)13-19)33-36-15-23(32-25(20)36)26(37)35-12-11-34(16-28(35,4)5)27(38)24-30-9-6-10-31-24/h7-11,14-15,17H,6,12-13,16H2,1-5H3;6-9,12,15,17,19,40H,10-11,13-14,16H2,1-5H3;5-11,14-15,17H,12-13,16H2,1-4H3;6-10,13-15,17H,11-12,16H2,1-5H3.

What are the key properties of [3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone?

[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone has a molecular weight of 2177.38 g/mol, XLogP of 18.95, 16 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(2-methyl-3H-pyrrol-5-yl)methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]methanone is sourced from PubChem (CID 158088306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).