tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide

C117H154F3N41O11 — CID 157284406

About tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide

tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 157284406) has the molecular formula C117H154F3N41O11 and a molecular weight of 2367.79 g/mol. Its IUPAC name is tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

• Compound Name: tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide
• PubChem CID: 157284406
• Molecular Formula: C117H154F3N41O11
• Molecular Weight: 2367.79 g/mol
• Exact Mass: 2366.27
• IUPAC Name: tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide
• SMILES: CC(F)(F)c1nnc2ccc(N3CCNC(=O)CC3)nn12.CCOC(=O)N1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1.COCCCNC(=O)CN1CCN(c2ccc3nccn3n2)C(C)C1.COCCCNC(=O)CN1CCN(c2ccc3nccn3n2)CC1.Cc1cnc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nn12.O=C(C1CCCC1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1.O=C(CN1CCN(c2ccc3nccn3n2)CC1)NC1CCCC1
• InChI: InChI=1S/C21H24N6O.C18H19FN6O2.C17H26N6O2.C17H24N6O.C16H24N6O2.C16H23N5O2.C12H14F2N6O/c28-21(17-8-4-5-9-17)26-14-12-25(13-15-26)19-11-10-18-22-23-20(27(18)24-19)16-6-2-1-3-7-16;1-2-27-18(26)24-11-9-23(10-12-24)16-8-7-15-20-21-17(25(15)22-16)13-5-3-4-6-14(13)19;1-14-12-21(13-17(24)19-6-3-11-25-2)9-10-22(14)16-5-4-15-18-7-8-23(15)20-16;24-17(19-14-3-1-2-4-14)13-21-9-11-22(12-10-21)16-6-5-15-18-7-8-23(15)20-16;1-24-12-2-5-18-16(23)13-20-8-10-21(11-9-20)15-4-3-14-17-6-7-22(14)19-15;1-12-11-17-13-5-6-14(18-21(12)13)19-7-9-20(10-8-19)15(22)23-16(2,3)4;1-12(13,14)11-17-16-8-2-3-9(18-20(8)11)19-6-4-10(21)15-5-7-19/h1-3,6-7,10-11,17H,4-5,8-9,12-15H2;3-8H,2,9-12H2,1H3;4-5,7-8,14H,3,6,9-13H2,1-2H3,(H,19,24);5-8,14H,1-4,9-13H2,(H,19,24);3-4,6-7H,2,5,8-13H2,1H3,(H,18,23);5-6,11H,7-10H2,1-4H3;2-3H,4-7H2,1H3,(H,15,21)
• InChIKey: BAAYQKDHHSRSGR-UHFFFAOYSA-N
• XLogP: 8.80
• TPSA: 496.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 45
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2367.79
LogP ≤ 5	8.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide?

The IUPAC name of tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide (CID 157284406) is tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide.

What is the SMILES notation for tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide?

The canonical SMILES for tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide is CC(F)(F)c1nnc2ccc(N3CCNC(=O)CC3)nn12.CCOC(=O)N1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1.COCCCNC(=O)CN1CCN(c2ccc3nccn3n2)C(C)C1.COCCCNC(=O)CN1CCN(c2ccc3nccn3n2)CC1.Cc1cnc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nn12.O=C(C1CCCC1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1.O=C(CN1CCN(c2ccc3nccn3n2)CC1)NC1CCCC1.

What is the InChIKey of tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide?

The InChIKey is BAAYQKDHHSRSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O.C18H19FN6O2.C17H26N6O2.C17H24N6O.C16H24N6O2.C16H23N5O2.C12H14F2N6O/c28-21(17-8-4-5-9-17)26-14-12-25(13-15-26)19-11-10-18-22-23-20(27(18)24-19)16-6-2-1-3-7-16;1-2-27-18(26)24-11-9-23(10-12-24)16-8-7-15-20-21-17(25(15)22-16)13-5-3-4-6-14(13)19;1-14-12-21(13-17(24)19-6-3-11-25-2)9-10-22(14)16-5-4-15-18-7-8-23(15)20-16;24-17(19-14-3-1-2-4-14)13-21-9-11-22(12-10-21)16-6-5-15-18-7-8-23(15)20-16;1-24-12-2-5-18-16(23)13-20-8-10-21(11-9-20)15-4-3-14-17-6-7-22(14)19-15;1-12-11-17-13-5-6-14(18-21(12)13)19-7-9-20(10-8-19)15(22)23-16(2,3)4;1-12(13,14)11-17-16-8-2-3-9(18-20(8)11)19-6-4-10(21)15-5-7-19/h1-3,6-7,10-11,17H,4-5,8-9,12-15H2;3-8H,2,9-12H2,1H3;4-5,7-8,14H,3,6,9-13H2,1-2H3,(H,19,24);5-8,14H,1-4,9-13H2,(H,19,24);3-4,6-7H,2,5,8-13H2,1H3,(H,18,23);5-6,11H,7-10H2,1-4H3;2-3H,4-7H2,1H3,(H,15,21).

What are the key properties of tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide?

tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 2367.79 g/mol, XLogP of 8.80, 27 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(3-methylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;N-cyclopentyl-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)acetamide;cyclopentyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4-diazepan-5-one;ethyl 4-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxylate;2-(4-imidazo[1,2-b]pyridazin-6-yl-3-methylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide;2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 157284406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).