potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide

C111H131BBrCl2F4K3N28O14P+ — CID 162115817

About potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide

potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide (PubChem CID 162115817) has the molecular formula C111H131BBrCl2F4K3N28O14P+ and a molecular weight of 2467.33 g/mol. Its IUPAC name is potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide.

Molecular Properties

• Compound Name: potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide
• PubChem CID: 162115817
• Molecular Formula: C111H131BBrCl2F4K3N28O14P+
• Molecular Weight: 2467.33 g/mol
• Exact Mass: 2463.76
• IUPAC Name: potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide
• SMILES: CC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCN(C(=O)OC(C)(C)C)CC3)ccc2n1.CC(Cl)Cl.Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)cn3n2)c1C1CCN(C(=O)OC(C)(C)C)CC1.Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)cn3n2)c1C1CCNCC1.Cn1nc(-c2ccc(F)cc2)c(Br)c1C1CCN(C(=O)OC(C)(C)C)CC1.O=[P+]([O-])O[O-].[CH2+]C1(C)OB(c2ccc3nc(NC(C)=O)cn3n2)OC1(C)C.[K+].[K][K]
• InChI: InChI=1S/C28H32FN7O3.C26H30FN7O2.C21H22FN7.C20H25BrFN3O2.C14H17BN4O3.C2H4Cl2.3K.HO4P/c1-17(37)30-22-16-36-23(31-22)11-10-21(32-36)24-25(18-6-8-20(29)9-7-18)33-34(5)26(24)19-12-14-35(15-13-19)27(38)39-28(2,3)4;1-26(2,3)36-25(35)33-13-11-17(12-14-33)24-22(19-9-10-21-29-20(28)15-34(21)30-19)23(31-32(24)4)16-5-7-18(27)8-6-16;1-28-21(14-8-10-24-11-9-14)19(20(27-28)13-2-4-15(22)5-3-13)16-6-7-18-25-17(23)12-29(18)26-16;1-20(2,3)27-19(26)25-11-9-14(10-12-25)18-16(21)17(23-24(18)4)13-5-7-15(22)8-6-13;1-9(20)16-11-8-19-12(17-11)7-6-10(18-19)15-21-13(2,3)14(4,5)22-15;1-2(3)4;;;;1-4-5(2)3/h6-11,16,19H,12-15H2,1-5H3,(H,30,37);5-10,15,17H,11-14,28H2,1-4H3;2-7,12,14,24H,8-11,23H2,1H3;5-8,14H,9-12H2,1-4H3;6-8H,2H2,1,3-5H3;2H,1H3;;;;1H/q;;;;;;;;+1
• InChIKey: ZGTAQLUCGXHFGX-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 493.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2467.33
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide?

The IUPAC name of potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide (CID 162115817) is potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide.

What is the SMILES notation for potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide?

The canonical SMILES for potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide is CC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCN(C(=O)OC(C)(C)C)CC3)ccc2n1.CC(Cl)Cl.Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)cn3n2)c1C1CCN(C(=O)OC(C)(C)C)CC1.Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)cn3n2)c1C1CCNCC1.Cn1nc(-c2ccc(F)cc2)c(Br)c1C1CCN(C(=O)OC(C)(C)C)CC1.O=[P+]([O-])O[O-].[CH2+]C1(C)OB(c2ccc3nc(NC(C)=O)cn3n2)OC1(C)C.[K+].[K][K].

What is the InChIKey of potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide?

The InChIKey is ZGTAQLUCGXHFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7O3.C26H30FN7O2.C21H22FN7.C20H25BrFN3O2.C14H17BN4O3.C2H4Cl2.3K.HO4P/c1-17(37)30-22-16-36-23(31-22)11-10-21(32-36)24-25(18-6-8-20(29)9-7-18)33-34(5)26(24)19-12-14-35(15-13-19)27(38)39-28(2,3)4;1-26(2,3)36-25(35)33-13-11-17(12-14-33)24-22(19-9-10-21-29-20(28)15-34(21)30-19)23(31-32(24)4)16-5-7-18(27)8-6-16;1-28-21(14-8-10-24-11-9-14)19(20(27-28)13-2-4-15(22)5-3-13)16-6-7-18-25-17(23)12-29(18)26-16;1-20(2,3)27-19(26)25-11-9-14(10-12-25)18-16(21)17(23-24(18)4)13-5-7-15(22)8-6-13;1-9(20)16-11-8-19-12(17-11)7-6-10(18-19)15-21-13(2,3)14(4,5)22-15;1-2(3)4;;;;1-4-5(2)3/h6-11,16,19H,12-15H2,1-5H3,(H,30,37);5-10,15,17H,11-14,28H2,1-4H3;2-7,12,14,24H,8-11,23H2,1H3;5-8,14H,9-12H2,1-4H3;6-8H,2H2,1,3-5H3;2H,1H3;;;;1H/q;;;;;;;;+1;.

What are the key properties of potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide?

potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide has a molecular weight of 2467.33 g/mol, XLogP of 14.88, 15 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl 4-[4-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]piperidine-1-carboxylate;1,1-dichloroethane;6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-amine;oxido-oxidooxy-oxophosphanium;potassiopotassium;N-[6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide is sourced from PubChem (CID 162115817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).