[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

C110H129F3N24O10 — CID 160819793

About [3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 160819793) has the molecular formula C110H129F3N24O10 and a molecular weight of 2004.39 g/mol. Its IUPAC name is [3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

• Compound Name: [3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
• PubChem CID: 160819793
• Molecular Formula: C110H129F3N24O10
• Molecular Weight: 2004.39 g/mol
• Exact Mass: 2003.03
• IUPAC Name: [3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
• SMILES: CC(C)c1cc(-c2ccccc2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)C5CC(O)(C(F)(F)F)C5)CC4(C)C)cn3n2)cc1.Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)c5ccn[nH]5)CC4(C)C)cn3n2)cc1.Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)c5ccncn5)CC4(C)C)cn3n2)cc1
• InChI: InChI=1S/C29H34F3N5O3.C28H31N7O2.C27H31N7O2.C26H33N5O3/c1-17(2)21-12-22(19-8-6-18(3)7-9-19)34-37-15-23(33-24(21)37)26(39)36-11-10-35(16-27(36,4)5)25(38)20-13-28(40,14-20)29(30,31)32;1-18(2)21-14-23(20-8-6-19(3)7-9-20)32-35-15-24(31-25(21)35)27(37)34-13-12-33(16-28(34,4)5)26(36)22-10-11-29-17-30-22;1-17(2)20-14-22(19-8-6-18(3)7-9-19)31-34-15-23(29-24(20)34)26(36)33-13-12-32(16-27(33,4)5)25(35)21-10-11-28-30-21;1-17(2)19-14-20(18-10-8-7-9-11-18)28-31-15-21(27-22(19)31)23(32)30-13-12-29(16-25(30,3)4)24(33)26(5,6)34/h6-9,12,15,17,20,40H,10-11,13-14,16H2,1-5H3;6-11,14-15,17-18H,12-13,16H2,1-5H3;6-11,14-15,17H,12-13,16H2,1-5H3,(H,28,30);7-11,14-15,17,34H,12-13,16H2,1-6H3
• InChIKey: SFJQWTFSXGODPU-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 378.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2004.39
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

The IUPAC name of [3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (CID 160819793) is [3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.

What is the SMILES notation for [3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

The canonical SMILES for [3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one is CC(C)c1cc(-c2ccccc2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)C5CC(O)(C(F)(F)F)C5)CC4(C)C)cn3n2)cc1.Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)c5ccn[nH]5)CC4(C)C)cn3n2)cc1.Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)c5ccncn5)CC4(C)C)cn3n2)cc1.

What is the InChIKey of [3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

The InChIKey is SFJQWTFSXGODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N5O3.C28H31N7O2.C27H31N7O2.C26H33N5O3/c1-17(2)21-12-22(19-8-6-18(3)7-9-19)34-37-15-23(33-24(21)37)26(39)36-11-10-35(16-27(36,4)5)25(38)20-13-28(40,14-20)29(30,31)32;1-18(2)21-14-23(20-8-6-19(3)7-9-20)32-35-15-24(31-25(21)35)27(37)34-13-12-33(16-28(34,4)5)26(36)22-10-11-29-17-30-22;1-17(2)20-14-22(19-8-6-18(3)7-9-19)31-34-15-23(29-24(20)34)26(36)33-13-12-32(16-27(33,4)5)25(35)21-10-11-28-30-21;1-17(2)19-14-20(18-10-8-7-9-11-18)28-31-15-21(27-22(19)31)23(32)30-13-12-29(16-25(30,3)4)24(33)26(5,6)34/h6-9,12,15,17,20,40H,10-11,13-14,16H2,1-5H3;6-11,14-15,17-18H,12-13,16H2,1-5H3;6-11,14-15,17H,12-13,16H2,1-5H3,(H,28,30);7-11,14-15,17,34H,12-13,16H2,1-6H3.

What are the key properties of [3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 2004.39 g/mol, XLogP of 15.87, 16 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-pyrimidin-4-ylmethanone;1-[3,3-dimethyl-4-(6-phenyl-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 160819793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).