2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one

C129H146Cl2N36O9 — CID 158918849

About 2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one

2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 158918849) has the molecular formula C129H146Cl2N36O9 and a molecular weight of 2415.74 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one
• PubChem CID: 158918849
• Molecular Formula: C129H146Cl2N36O9
• Molecular Weight: 2415.74 g/mol
• Exact Mass: 2413.15
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one
• SMILES: Cc1cnc2ccc(N3CCN(C(=O)CCc4ccccc4)CC3)nn12.O=C(CC1CCCCC1)N1CCN(c2ccc3nccn3n2)CC1.O=C(CC1CCCCC1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1.O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2ccc3nccn3n2)CC1.O=C(Cc1ccccc1)N1CCN(c2ccc3nccn3n2)CC1.O=C(c1cccc(Cl)c1)N1CCN(c2ccc3nccn3n2)CC1.O=C(c1ccccc1Cl)N1CCN(c2ccc3nccn3n2)CC1
• InChI: InChI=1S/C20H28N6O.C20H23N5O.C19H19N5O3.C18H25N5O.C18H19N5O.2C17H16ClN5O/c27-19(14-15-4-2-1-3-5-15)25-12-10-24(11-13-25)18-9-8-17-21-22-20(16-6-7-16)26(17)23-18;1-16-15-21-18-8-9-19(22-25(16)18)23-11-13-24(14-12-23)20(26)10-7-17-5-3-2-4-6-17;25-19(12-14-1-2-15-16(11-14)27-13-26-15)23-9-7-22(8-10-23)18-4-3-17-20-5-6-24(17)21-18;2*24-18(14-15-4-2-1-3-5-15)22-12-10-21(11-13-22)17-7-6-16-19-8-9-23(16)20-17;18-14-3-1-2-13(12-14)17(24)22-10-8-21(9-11-22)16-5-4-15-19-6-7-23(15)20-16;18-14-4-2-1-3-13(14)17(24)22-11-9-21(10-12-22)16-6-5-15-19-7-8-23(15)20-16/h8-9,15-16H,1-7,10-14H2;2-6,8-9,15H,7,10-14H2,1H3;1-6,11H,7-10,12-13H2;6-9,15H,1-5,10-14H2;1-9H,10-14H2;1-7,12H,8-11H2;1-8H,9-12H2
• InChIKey: JHORPUWHFTUDAM-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 407.53 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2415.74
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one (CID 158918849) is 2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one is Cc1cnc2ccc(N3CCN(C(=O)CCc4ccccc4)CC3)nn12.O=C(CC1CCCCC1)N1CCN(c2ccc3nccn3n2)CC1.O=C(CC1CCCCC1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1.O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2ccc3nccn3n2)CC1.O=C(Cc1ccccc1)N1CCN(c2ccc3nccn3n2)CC1.O=C(c1cccc(Cl)c1)N1CCN(c2ccc3nccn3n2)CC1.O=C(c1ccccc1Cl)N1CCN(c2ccc3nccn3n2)CC1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one?

The InChIKey is JHORPUWHFTUDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O.C20H23N5O.C19H19N5O3.C18H25N5O.C18H19N5O.2C17H16ClN5O/c27-19(14-15-4-2-1-3-5-15)25-12-10-24(11-13-25)18-9-8-17-21-22-20(16-6-7-16)26(17)23-18;1-16-15-21-18-8-9-19(22-25(16)18)23-11-13-24(14-12-23)20(26)10-7-17-5-3-2-4-6-17;25-19(12-14-1-2-15-16(11-14)27-13-26-15)23-9-7-22(8-10-23)18-4-3-17-20-5-6-24(17)21-18;2*24-18(14-15-4-2-1-3-5-15)22-12-10-21(11-13-22)17-7-6-16-19-8-9-23(16)20-17;18-14-3-1-2-13(12-14)17(24)22-10-8-21(9-11-22)16-5-4-15-19-6-7-23(15)20-16;18-14-4-2-1-3-13(14)17(24)22-11-9-21(10-12-22)16-6-5-15-19-7-8-23(15)20-16/h8-9,15-16H,1-7,10-14H2;2-6,8-9,15H,7,10-14H2,1H3;1-6,11H,7-10,12-13H2;6-9,15H,1-5,10-14H2;1-9H,10-14H2;1-7,12H,8-11H2;1-8H,9-12H2.

What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one?

2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 2415.74 g/mol, XLogP of 14.95, 21 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;(2-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;(3-chlorophenyl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone;2-cyclohexyl-1-[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;2-cyclohexyl-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;1-[4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 158918849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).