4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

C103H122F4N28O10 — CID 159275389

About 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 159275389) has the molecular formula C103H122F4N28O10 and a molecular weight of 1988.29 g/mol. Its IUPAC name is 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
• PubChem CID: 159275389
• Molecular Formula: C103H122F4N28O10
• Molecular Weight: 1988.29 g/mol
• Exact Mass: 1986.98
• IUPAC Name: 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
• SMILES: CC(C)c1cc(-c2cccc(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)cc1F.Cn1nnc(N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2=O)n1.Cn1nnnc1N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1=O
• InChI: InChI=1S/C27H34FN5O3.C26H32FN5O3.2C25H28FN9O2/c1-16(2)19-13-21(18-9-8-17(3)20(28)12-18)30-33-14-22(29-23(19)33)24(34)32-11-10-31(15-26(32,4)5)25(35)27(6,7)36;1-16(2)19-13-20(17-8-7-9-18(27)12-17)29-32-14-21(28-22(19)32)23(33)31-11-10-30(15-25(31,3)4)24(34)26(5,6)35;1-24(2,3)17-13-18(15-7-9-16(26)10-8-15)29-35-14-19(27-20(17)35)21(36)34-12-11-33(22(37)25(34,4)5)23-28-30-31-32(23)6;1-24(2,3)17-13-18(15-7-9-16(26)10-8-15)29-35-14-19(27-20(17)35)21(36)34-12-11-33(22(37)25(34,4)5)23-28-31-32(6)30-23/h8-9,12-14,16,36H,10-11,15H2,1-7H3;7-9,12-14,16,35H,10-11,15H2,1-6H3;2*7-10,13-14H,11-12H2,1-6H3
• InChIKey: KYFXGUYYMDRFMF-UHFFFAOYSA-N
• XLogP: 12.54
• TPSA: 410.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1988.29
LogP ≤ 5	12.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

The IUPAC name of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (CID 159275389) is 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.

What is the SMILES notation for 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

The canonical SMILES for 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one is CC(C)c1cc(-c2cccc(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)cc1F.Cn1nnc(N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2=O)n1.Cn1nnnc1N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1=O.

What is the InChIKey of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

The InChIKey is KYFXGUYYMDRFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O3.C26H32FN5O3.2C25H28FN9O2/c1-16(2)19-13-21(18-9-8-17(3)20(28)12-18)30-33-14-22(29-23(19)33)24(34)32-11-10-31(15-26(32,4)5)25(35)27(6,7)36;1-16(2)19-13-20(17-8-7-9-18(27)12-17)29-32-14-21(28-22(19)32)23(33)31-11-10-30(15-25(31,3)4)24(34)26(5,6)35;1-24(2,3)17-13-18(15-7-9-16(26)10-8-15)29-35-14-19(27-20(17)35)21(36)34-12-11-33(22(37)25(34,4)5)23-28-30-31-32(23)6;1-24(2,3)17-13-18(15-7-9-16(26)10-8-15)29-35-14-19(27-20(17)35)21(36)34-12-11-33(22(37)25(34,4)5)23-28-31-32(6)30-23/h8-9,12-14,16,36H,10-11,15H2,1-7H3;7-9,12-14,16,35H,10-11,15H2,1-6H3;2*7-10,13-14H,11-12H2,1-6H3.

What are the key properties of 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?

4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 1988.29 g/mol, XLogP of 12.54, 14 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1-methyltetrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyltetrazol-5-yl)piperazin-2-one;1-[4-[6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-[6-(3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 159275389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).