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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

C106H130F6N20O12 — CID 159331579

IUPAC1-[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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)c1cc(-c2ccc(C(F)(F)F)c(F)c2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.CC(C)c1cc(-c2cccc(F)c2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.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)C(C)(C)O)CC4(C)C)cn3n2)cc1F
InChIInChI=1S/C27H31F4N5O3.C27H34FN5O3.C26H32FN5O3.C26H33N5O3/c1-15(2)17-12-20(16-7-8-18(19(28)11-16)27(29,30)31)33-36-13-21(32-22(17)36)23(37)35-10-9-34(14-25(35,3)4)24(38)26(5,6)39;1-16(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;1-17(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/h7-8,11-13,15,39H,9-10,14H2,1-6H3;8-9,12-14,16,36H,10-11,15H2,1-7H3;7-9,12-14,16,35H,10-11,15H2,1-6H3;7-11,14-15,17,34H,12-13,16H2,1-6H3
InChIKeyLFAJRPGAGSVWET-UHFFFAOYSA-N
MW1990.32 g/mol
LogP15.16
Rot. Bonds16

About 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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one

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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 159331579) has the molecular formula C106H130F6N20O12 and a molecular weight of 1990.32 g/mol. Its IUPAC name is 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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID159331579
Molecular FormulaC106H130F6N20O12
Molecular Weight1990.32 g/mol
Exact Mass1989.01
IUPAC Name1-[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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)c1cc(-c2ccc(C(F)(F)F)c(F)c2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.CC(C)c1cc(-c2cccc(F)c2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.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)C(C)(C)O)CC4(C)C)cn3n2)cc1F
InChIInChI=1S/C27H31F4N5O3.C27H34FN5O3.C26H32FN5O3.C26H33N5O3/c1-15(2)17-12-20(16-7-8-18(19(28)11-16)27(29,30)31)33-36-13-21(32-22(17)36)23(37)35-10-9-34(14-25(35,3)4)24(38)26(5,6)39;1-16(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;1-17(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/h7-8,11-13,15,39H,9-10,14H2,1-6H3;8-9,12-14,16,36H,10-11,15H2,1-7H3;7-9,12-14,16,35H,10-11,15H2,1-6H3;7-11,14-15,17,34H,12-13,16H2,1-6H3
InChIKeyLFAJRPGAGSVWET-UHFFFAOYSA-N
XLogP15.16
TPSA364.16 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001990.32
LogP ≤ 515.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-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 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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one (CID 159331579) is 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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-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 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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-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 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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-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(-c2ccc(C(F)(F)F)c(F)c2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.CC(C)c1cc(-c2cccc(F)c2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12.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)C(C)(C)O)CC4(C)C)cn3n2)cc1F.
What is the InChIKey of 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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is LFAJRPGAGSVWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F4N5O3.C27H34FN5O3.C26H32FN5O3.C26H33N5O3/c1-15(2)17-12-20(16-7-8-18(19(28)11-16)27(29,30)31)33-36-13-21(32-22(17)36)23(37)35-10-9-34(14-25(35,3)4)24(38)26(5,6)39;1-16(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;1-17(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/h7-8,11-13,15,39H,9-10,14H2,1-6H3;8-9,12-14,16,36H,10-11,15H2,1-7H3;7-9,12-14,16,35H,10-11,15H2,1-6H3;7-11,14-15,17,34H,12-13,16H2,1-6H3.
What are the key properties of 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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one?
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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-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 1990.32 g/mol, XLogP of 15.16, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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;1-[4-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-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 159331579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).