1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile

C108H131F6N21O13 — CID 158328826

About 1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile

1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile (PubChem CID 158328826) has the molecular formula C108H131F6N21O13 and a molecular weight of 2045.36 g/mol. Its IUPAC name is 1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile.

Molecular Properties

• Compound Name: 1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile
• PubChem CID: 158328826
• Molecular Formula: C108H131F6N21O13
• Molecular Weight: 2045.36 g/mol
• Exact Mass: 2044.01
• IUPAC Name: 1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile
• SMILES: CC(C)c1cc(-c2ccc(C#N)cc2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(OC(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.CC(C)c1cc(-c2cccc(C(F)(F)F)c2)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)C(C)(C)O)CC4(C)C)cn3n2)cc1
• InChI: InChI=1S/C27H32F3N5O4.C27H32F3N5O3.C27H32N6O3.C27H35N5O3/c1-16(2)19-13-20(17-7-9-18(10-8-17)39-27(28,29)30)32-35-14-21(31-22(19)35)23(36)34-12-11-33(15-25(34,3)4)24(37)26(5,6)38;1-16(2)19-13-20(17-8-7-9-18(12-17)27(28,29)30)32-35-14-21(31-22(19)35)23(36)34-11-10-33(15-25(34,3)4)24(37)26(5,6)38;1-17(2)20-13-21(19-9-7-18(14-28)8-10-19)30-33-15-22(29-23(20)33)24(34)32-12-11-31(16-26(32,3)4)25(35)27(5,6)36;1-17(2)20-14-21(19-10-8-18(3)9-11-19)29-32-15-22(28-23(20)32)24(33)31-13-12-30(16-26(31,4)5)25(34)27(6,7)35/h7-10,13-14,16,38H,11-12,15H2,1-6H3;7-9,12-14,16,38H,10-11,15H2,1-6H3;7-10,13,15,17,36H,11-12,16H2,1-6H3;8-11,14-15,17,35H,12-13,16H2,1-7H3
• InChIKey: GPTDTCSSQXMJNI-UHFFFAOYSA-N
• XLogP: 15.51
• TPSA: 397.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.36
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile?

The IUPAC name of 1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile (CID 158328826) is 1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile.

What is the SMILES notation for 1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile?

The canonical SMILES for 1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile is CC(C)c1cc(-c2ccc(C#N)cc2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.CC(C)c1cc(-c2ccc(OC(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.CC(C)c1cc(-c2cccc(C(F)(F)F)c2)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)C(C)(C)O)CC4(C)C)cn3n2)cc1.

What is the InChIKey of 1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile?

The InChIKey is GPTDTCSSQXMJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O4.C27H32F3N5O3.C27H32N6O3.C27H35N5O3/c1-16(2)19-13-20(17-7-9-18(10-8-17)39-27(28,29)30)32-35-14-21(31-22(19)35)23(36)34-12-11-33(15-25(34,3)4)24(37)26(5,6)38;1-16(2)19-13-20(17-8-7-9-18(12-17)27(28,29)30)32-35-14-21(31-22(19)35)23(36)34-11-10-33(15-25(34,3)4)24(37)26(5,6)38;1-17(2)20-13-21(19-9-7-18(14-28)8-10-19)30-33-15-22(29-23(20)33)24(34)32-12-11-31(16-26(32,3)4)25(35)27(5,6)36;1-17(2)20-14-21(19-10-8-18(3)9-11-19)29-32-15-22(28-23(20)32)24(33)31-13-12-30(16-26(31,4)5)25(34)27(6,7)35/h7-10,13-14,16,38H,11-12,15H2,1-6H3;7-9,12-14,16,38H,10-11,15H2,1-6H3;7-10,13,15,17,36H,11-12,16H2,1-6H3;8-11,14-15,17,35H,12-13,16H2,1-7H3.

What are the key properties of 1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile?

1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile has a molecular weight of 2045.36 g/mol, XLogP of 15.51, 17 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,3-dimethyl-4-[6-(4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;4-[2-[4-(2-hydroxy-2-methylpropanoyl)-2,2-dimethylpiperazine-1-carbonyl]-8-propan-2-ylimidazo[1,2-b]pyridazin-6-yl]benzonitrile is sourced from PubChem (CID 158328826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).