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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine

C106H114Cl2N30O9S — CID 157415065

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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine

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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 157415065) has the molecular formula C106H114Cl2N30O9S and a molecular weight of 2055.25 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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine.

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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine
• PubChem CID: 157415065
• Molecular Formula: C106H114Cl2N30O9S
• Molecular Weight: 2055.25 g/mol
• Exact Mass: 2052.85
• 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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine
• SMILES: Cc1ccc(S(=O)(=O)N2CCN(c3ccc4nccn4n3)CC2)cc1.O=C(CC1CCCCC1)N1CCN(c2ccc3nccn3n2)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/C19H19N5O3.C18H25N5O.C18H19N5O.2C17H16ClN5O.C17H19N5O2S/c25-19(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;1-14-2-4-15(5-3-14)25(23,24)21-12-10-20(11-13-21)17-7-6-16-18-8-9-22(16)19-17/h1-6,11H,7-10,12-13H2;6-9,15H,1-5,10-14H2;1-9H,10-14H2;1-7,12H,8-11H2;1-8H,9-12H2;2-9H,10-13H2,1H3
• InChIKey: BOTAJCLHPLBNBN-UHFFFAOYSA-N
• XLogP: 11.56
• TPSA: 357.97 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2055.25
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine?

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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine (CID 157415065) 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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine.

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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine?

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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccc4nccn4n3)CC2)cc1.O=C(CC1CCCCC1)N1CCN(c2ccc3nccn3n2)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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine?

The InChIKey is BOTAJCLHPLBNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3.C18H25N5O.C18H19N5O.2C17H16ClN5O.C17H19N5O2S/c25-19(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;1-14-2-4-15(5-3-14)25(23,24)21-12-10-20(11-13-21)17-7-6-16-18-8-9-22(16)19-17/h1-6,11H,7-10,12-13H2;6-9,15H,1-5,10-14H2;1-9H,10-14H2;1-7,12H,8-11H2;1-8H,9-12H2;2-9H,10-13H2,1H3.

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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine?

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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 2055.25 g/mol, XLogP of 11.56, 16 rotatable bonds, 0 hydrogen bond donors, and 33 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-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-phenylethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157415065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).