[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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

C82H88F7N19O7 — CID 157440130

About [4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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

[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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 (PubChem CID 157440130) has the molecular formula C82H88F7N19O7 and a molecular weight of 1584.72 g/mol. Its IUPAC name is [4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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.

Molecular Properties

• Compound Name: [4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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
• PubChem CID: 157440130
• Molecular Formula: C82H88F7N19O7
• Molecular Weight: 1584.72 g/mol
• Exact Mass: 1583.70
• IUPAC Name: [4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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
• SMILES: CC(C)c1cc(-c2ccc(F)c(F)c2)nn2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(F)c(F)c2)nn2cc(C(=O)N3CCN(C(=O)c4ccn[nH]4)CC3(C)C)nc12.Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)c5ccncn5)CC4(C)C)cn3n2)cc1
• InChI: InChI=1S/C28H30F5N5O3.C28H31N7O2.C26H27F2N7O2/c1-15(2)18-10-21(16-5-6-19(29)20(30)9-16)35-38-13-22(34-23(18)38)25(40)37-8-7-36(14-26(37,3)4)24(39)17-11-27(41,12-17)28(31,32)33;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;1-15(2)17-12-21(16-5-6-18(27)19(28)11-16)32-35-13-22(30-23(17)35)25(37)34-10-9-33(14-26(34,3)4)24(36)20-7-8-29-31-20/h5-6,9-10,13,15,17,41H,7-8,11-12,14H2,1-4H3;6-11,14-15,17-18H,12-13,16H2,1-5H3;5-8,11-13,15H,9-10,14H2,1-4H3,(H,29,31)
• InChIKey: BRONTZDEZBZIAF-UHFFFAOYSA-N
• XLogP: 12.46
• TPSA: 287.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1584.72
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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?

The IUPAC name of [4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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 (CID 157440130) is [4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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.

What is the SMILES notation for [4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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?

The canonical SMILES for [4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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 is CC(C)c1cc(-c2ccc(F)c(F)c2)nn2cc(C(=O)N3CCN(C(=O)C4CC(O)(C(F)(F)F)C4)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(F)c(F)c2)nn2cc(C(=O)N3CCN(C(=O)c4ccn[nH]4)CC3(C)C)nc12.Cc1ccc(-c2cc(C(C)C)c3nc(C(=O)N4CCN(C(=O)c5ccncn5)CC4(C)C)cn3n2)cc1.

What is the InChIKey of [4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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?

The InChIKey is BRONTZDEZBZIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F5N5O3.C28H31N7O2.C26H27F2N7O2/c1-15(2)18-10-21(16-5-6-19(29)20(30)9-16)35-38-13-22(34-23(18)38)25(40)37-8-7-36(14-26(37,3)4)24(39)17-11-27(41,12-17)28(31,32)33;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;1-15(2)17-12-21(16-5-6-18(27)19(28)11-16)32-35-13-22(30-23(17)35)25(37)34-10-9-33(14-26(34,3)4)24(36)20-7-8-29-31-20/h5-6,9-10,13,15,17,41H,7-8,11-12,14H2,1-4H3;6-11,14-15,17-18H,12-13,16H2,1-5H3;5-8,11-13,15H,9-10,14H2,1-4H3,(H,29,31).

What are the key properties of [4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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?

[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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 has a molecular weight of 1584.72 g/mol, XLogP of 12.46, 12 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3,4-difluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-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 is sourced from PubChem (CID 157440130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).