3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride

C73H89BBr2Cl4N24O2 — CID 158864159

About 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride

3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride (PubChem CID 158864159) has the molecular formula C73H89BBr2Cl4N24O2 and a molecular weight of 1647.11 g/mol. Its IUPAC name is 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride.

Molecular Properties

• Compound Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride
• PubChem CID: 158864159
• Molecular Formula: C73H89BBr2Cl4N24O2
• Molecular Weight: 1647.11 g/mol
• Exact Mass: 1642.48
• IUPAC Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride
• SMILES: CN1CCCN(c2ccc3ncc(Br)n3n2)CC1.Cc1[nH]nc2ccc(-c3cnc4ccc(N5CCCNCC5)nn34)cc12.Cc1nn(C)c2ccc(-c3cnc4ccc(N5CCCN(C)CC5)nn34)cc12.Cc1nn(C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12.Cl.Cl.Cl.Clc1ccc2ncc(Br)n2n1
• InChI: InChI=1S/C21H25N7.C19H21N7.C15H21BN2O2.C12H16BrN5.C6H3BrClN3.3ClH/c1-15-17-13-16(5-6-18(17)26(3)23-15)19-14-22-20-7-8-21(24-28(19)20)27-10-4-9-25(2)11-12-27;1-13-15-11-14(3-4-16(15)23-22-13)17-12-21-18-5-6-19(24-26(17)18)25-9-2-7-20-8-10-25;1-10-12-9-11(7-8-13(12)18(6)17-10)16-19-14(2,3)15(4,5)20-16;1-16-5-2-6-17(8-7-16)12-4-3-11-14-9-10(13)18(11)15-12;7-4-3-9-6-2-1-5(8)10-11(4)6;;;/h5-8,13-14H,4,9-12H2,1-3H3;3-6,11-12,20H,2,7-10H2,1H3,(H,22,23);7-9H,1-6H3;3-4,9H,2,5-8H2,1H3;1-3H;3*1H
• InChIKey: GNOYBXJHVKCXHW-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 231.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 6
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1647.11
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride?

The IUPAC name of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride (CID 158864159) is 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride.

What is the SMILES notation for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride?

The canonical SMILES for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride is CN1CCCN(c2ccc3ncc(Br)n3n2)CC1.Cc1[nH]nc2ccc(-c3cnc4ccc(N5CCCNCC5)nn34)cc12.Cc1nn(C)c2ccc(-c3cnc4ccc(N5CCCN(C)CC5)nn34)cc12.Cc1nn(C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12.Cl.Cl.Cl.Clc1ccc2ncc(Br)n2n1.

What is the InChIKey of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride?

The InChIKey is GNOYBXJHVKCXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7.C19H21N7.C15H21BN2O2.C12H16BrN5.C6H3BrClN3.3ClH/c1-15-17-13-16(5-6-18(17)26(3)23-15)19-14-22-20-7-8-21(24-28(19)20)27-10-4-9-25(2)11-12-27;1-13-15-11-14(3-4-16(15)23-22-13)17-12-21-18-5-6-19(24-26(17)18)25-9-2-7-20-8-10-25;1-10-12-9-11(7-8-13(12)18(6)17-10)16-19-14(2,3)15(4,5)20-16;1-16-5-2-6-17(8-7-16)12-4-3-11-14-9-10(13)18(11)15-12;7-4-3-9-6-2-1-5(8)10-11(4)6;;;/h5-8,13-14H,4,9-12H2,1-3H3;3-6,11-12,20H,2,7-10H2,1H3,(H,22,23);7-9H,1-6H3;3-4,9H,2,5-8H2,1H3;1-3H;3*1H.

What are the key properties of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride?

3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride has a molecular weight of 1647.11 g/mol, XLogP of 12.34, 6 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;6-(1,4-diazepan-1-yl)-3-(3-methyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazine;3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trihydrochloride is sourced from PubChem (CID 158864159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).