6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine

C127H129Cl2F4N39O8S — CID 162187441

About 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine

6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 162187441) has the molecular formula C127H129Cl2F4N39O8S and a molecular weight of 2508.66 g/mol. Its IUPAC name is 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine
• PubChem CID: 162187441
• Molecular Formula: C127H129Cl2F4N39O8S
• Molecular Weight: 2508.66 g/mol
• Exact Mass: 2505.99
• IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine
• SMILES: CC(=O)N1CCN(c2ccc3nnc(C(C)(F)F)n3n2)CC1.CC(F)(F)c1nnc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn12.Cc1ccc(S(=O)(=O)N2CCN(c3ccc4nccn4n3)CC2)cc1.O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1.O=C(c1cccc(Cl)c1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1.c1ccc(N2CCN(c3ccc4nccn4n3)CC2)cc1.c1cn2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2n1
• InChI: InChI=1S/C23H21ClN6O.C22H19ClN6O.C18H18F2N6O.C18H19N5O2.C17H19N5O2S.C16H17N5.C13H16F2N6O/c24-19-8-6-17(7-9-19)16-22(31)29-14-12-28(13-15-29)21-11-10-20-25-26-23(30(20)27-21)18-4-2-1-3-5-18;23-18-8-4-7-17(15-18)22(30)28-13-11-27(12-14-28)20-10-9-19-24-25-21(29(19)26-20)16-5-2-1-3-6-16;1-18(19,20)17-22-21-14-7-8-15(23-26(14)17)24-9-11-25(12-10-24)16(27)13-5-3-2-4-6-13;1-2-15-16(25-13-24-15)11-14(1)12-21-7-9-22(10-8-21)18-4-3-17-19-5-6-23(17)20-18;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;1-2-4-14(5-3-1)19-10-12-20(13-11-19)16-7-6-15-17-8-9-21(15)18-16;1-9(22)19-5-7-20(8-6-19)11-4-3-10-16-17-12(13(2,14)15)21(10)18-11/h1-11H,12-16H2;1-10,15H,11-14H2;2-8H,9-12H2,1H3;1-6,11H,7-10,12-13H2;2-9H,10-13H2,1H3;1-9H,10-13H2;3-4H,5-8H2,1-2H3
• InChIKey: ZPVQAOHMWUECAW-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 429.13 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 20
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2508.66
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine?

The IUPAC name of 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine (CID 162187441) is 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine.

What is the SMILES notation for 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine?

The canonical SMILES for 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine is CC(=O)N1CCN(c2ccc3nnc(C(C)(F)F)n3n2)CC1.CC(F)(F)c1nnc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn12.Cc1ccc(S(=O)(=O)N2CCN(c3ccc4nccn4n3)CC2)cc1.O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1.O=C(c1cccc(Cl)c1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1.c1ccc(N2CCN(c3ccc4nccn4n3)CC2)cc1.c1cn2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2n1.

What is the InChIKey of 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine?

The InChIKey is ZPVQAOHMWUECAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O.C22H19ClN6O.C18H18F2N6O.C18H19N5O2.C17H19N5O2S.C16H17N5.C13H16F2N6O/c24-19-8-6-17(7-9-19)16-22(31)29-14-12-28(13-15-29)21-11-10-20-25-26-23(30(20)27-21)18-4-2-1-3-5-18;23-18-8-4-7-17(15-18)22(30)28-13-11-27(12-14-28)20-10-9-19-24-25-21(29(19)26-20)16-5-2-1-3-6-16;1-18(19,20)17-22-21-14-7-8-15(23-26(14)17)24-9-11-25(12-10-24)16(27)13-5-3-2-4-6-13;1-2-15-16(25-13-24-15)11-14(1)12-21-7-9-22(10-8-21)18-4-3-17-19-5-6-23(17)20-18;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;1-2-4-14(5-3-1)19-10-12-20(13-11-19)16-7-6-15-17-8-9-21(15)18-16;1-9(22)19-5-7-20(8-6-19)11-4-3-10-16-17-12(13(2,14)15)21(10)18-11/h1-11H,12-16H2;1-10,15H,11-14H2;2-8H,9-12H2,1H3;1-6,11H,7-10,12-13H2;2-9H,10-13H2,1H3;1-9H,10-13H2;3-4H,5-8H2,1-2H3.

What are the key properties of 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine?

6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 2508.66 g/mol, XLogP of 15.23, 20 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]imidazo[1,2-b]pyridazine;6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 162187441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).