2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone

C106H134ClF4N41O8S2 — CID 160939330

About 2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone

2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone (PubChem CID 160939330) has the molecular formula C106H134ClF4N41O8S2 and a molecular weight of 2286.10 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone
• PubChem CID: 160939330
• Molecular Formula: C106H134ClF4N41O8S2
• Molecular Weight: 2286.10 g/mol
• Exact Mass: 2284.04
• IUPAC Name: 2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone
• SMILES: CC(C)(O)CN1CCN(c2ccc3nccn3n2)CC1.CC(F)(F)c1nnc2ccc(N3CCCN(S(C)(=O)=O)CC3)nn12.CC(F)(F)c1nnc2ccc(N3CCNCC3)nn12.CS(=O)(=O)CCCN1CCN(c2ccc3nccn3n2)CC1.Cc1cnc2ccc(N3CCN(c4cnn(C)c4)C(=O)C3)nn12.O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc3nccn3n2)CC1.O=C(N1CCCCC1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1
• InChI: InChI=1S/C21H25N7O.C18H18ClN5O.C15H17N7O.C14H21N5O2S.C14H21N5O.C13H18F2N6O2S.C11H14F2N6/c29-21(26-11-5-2-6-12-26)27-15-13-25(14-16-27)19-10-9-18-22-23-20(28(18)24-19)17-7-3-1-4-8-17;19-15-3-1-14(2-4-15)13-18(25)23-11-9-22(10-12-23)17-6-5-16-20-7-8-24(16)21-17;1-11-7-16-13-3-4-14(18-22(11)13)20-5-6-21(15(23)10-20)12-8-17-19(2)9-12;1-22(20,21)12-2-6-17-8-10-18(11-9-17)14-4-3-13-15-5-7-19(13)16-14;1-14(2,20)11-17-7-9-18(10-8-17)13-4-3-12-15-5-6-19(12)16-13;1-13(14,15)12-17-16-10-4-5-11(18-21(10)12)19-6-3-7-20(9-8-19)24(2,22)23;1-11(12,13)10-16-15-8-2-3-9(17-19(8)10)18-6-4-14-5-7-18/h1,3-4,7-10H,2,5-6,11-16H2;1-8H,9-13H2;3-4,7-9H,5-6,10H2,1-2H3;3-5,7H,2,6,8-12H2,1H3;3-6,20H,7-11H2,1-2H3;4-5H,3,6-9H2,1-2H3;2-3,14H,4-7H2,1H3
• InChIKey: SUHJZJJLUMHCHQ-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 464.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 44
• Rotatable Bonds: 20
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2286.10
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone?

The IUPAC name of 2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone (CID 160939330) is 2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone?

The canonical SMILES for 2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone is CC(C)(O)CN1CCN(c2ccc3nccn3n2)CC1.CC(F)(F)c1nnc2ccc(N3CCCN(S(C)(=O)=O)CC3)nn12.CC(F)(F)c1nnc2ccc(N3CCNCC3)nn12.CS(=O)(=O)CCCN1CCN(c2ccc3nccn3n2)CC1.Cc1cnc2ccc(N3CCN(c4cnn(C)c4)C(=O)C3)nn12.O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc3nccn3n2)CC1.O=C(N1CCCCC1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1.

What is the InChIKey of 2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone?

The InChIKey is SUHJZJJLUMHCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O.C18H18ClN5O.C15H17N7O.C14H21N5O2S.C14H21N5O.C13H18F2N6O2S.C11H14F2N6/c29-21(26-11-5-2-6-12-26)27-15-13-25(14-16-27)19-10-9-18-22-23-20(28(18)24-19)17-7-3-1-4-8-17;19-15-3-1-14(2-4-15)13-18(25)23-11-9-22(10-12-23)17-6-5-16-20-7-8-24(16)21-17;1-11-7-16-13-3-4-14(18-22(11)13)20-5-6-21(15(23)10-20)12-8-17-19(2)9-12;1-22(20,21)12-2-6-17-8-10-18(11-9-17)14-4-3-13-15-5-7-19(13)16-14;1-14(2,20)11-17-7-9-18(10-8-17)13-4-3-12-15-5-6-19(12)16-13;1-13(14,15)12-17-16-10-4-5-11(18-21(10)12)19-6-3-7-20(9-8-19)24(2,22)23;1-11(12,13)10-16-15-8-2-3-9(17-19(8)10)18-6-4-14-5-7-18/h1,3-4,7-10H,2,5-6,11-16H2;1-8H,9-13H2;3-4,7-9H,5-6,10H2,1-2H3;3-5,7H,2,6,8-12H2,1H3;3-6,20H,7-11H2,1-2H3;4-5H,3,6-9H2,1-2H3;2-3,14H,4-7H2,1H3.

What are the key properties of 2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone?

2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 2286.10 g/mol, XLogP of 7.68, 20 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-methylpropan-2-ol;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one;6-[4-(3-methylsulfonylpropyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 160939330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).