3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine

C101H107BBr2ClF4N15O13 — CID 159059921

About 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine

3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine (PubChem CID 159059921) has the molecular formula C101H107BBr2ClF4N15O13 and a molecular weight of 2021.12 g/mol. Its IUPAC name is 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine
• PubChem CID: 159059921
• Molecular Formula: C101H107BBr2ClF4N15O13
• Molecular Weight: 2021.12 g/mol
• Exact Mass: 2017.63
• IUPAC Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(-c2cnc3ccc(OCc4cccc(F)c4)nn23)cc1.CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Clc1ccc2ncc(Br)n2n1.Fc1cccc(COc2ccc3ncc(-c4ccc(OC[C@H]5CCCN5)cc4)n3n2)c1.Fc1cccc(COc2ccc3ncc(Br)n3n2)c1.OCc1cccc(F)c1
• InChI: InChI=1S/C29H31FN4O4.C24H23FN4O2.C22H34BNO5.C13H9BrFN3O.C7H7FO.C6H3BrClN3/c1-29(2,3)38-28(35)33-15-5-8-23(33)19-36-24-11-9-21(10-12-24)25-17-31-26-13-14-27(32-34(25)26)37-18-20-6-4-7-22(30)16-20;25-19-4-1-3-17(13-19)15-31-24-11-10-23-27-14-22(29(23)28-24)18-6-8-21(9-7-18)30-16-20-5-2-12-26-20;1-20(2,3)27-19(25)24-14-8-9-17(24)15-26-18-12-10-16(11-13-18)23-28-21(4,5)22(6,7)29-23;14-11-7-16-12-4-5-13(17-18(11)12)19-8-9-2-1-3-10(15)6-9;8-7-3-1-2-6(4-7)5-9;7-4-3-9-6-2-1-5(8)10-11(4)6/h4,6-7,9-14,16-17,23H,5,8,15,18-19H2,1-3H3;1,3-4,6-11,13-14,20,26H,2,5,12,15-16H2;10-13,17H,8-9,14-15H2,1-7H3;1-7H,8H2;1-4,9H,5H2;1-3H/t23-;20-;17-;;;/m111.../s1
• InChIKey: JYIHLEUGYOVPPL-PMSJPJGMSA-N
• XLogP: 20.58
• TPSA: 285.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2021.12
LogP ≤ 5	20.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

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-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine?

The IUPAC name of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine (CID 159059921) is 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine?

The canonical SMILES for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine is CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(-c2cnc3ccc(OCc4cccc(F)c4)nn23)cc1.CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Clc1ccc2ncc(Br)n2n1.Fc1cccc(COc2ccc3ncc(-c4ccc(OC[C@H]5CCCN5)cc4)n3n2)c1.Fc1cccc(COc2ccc3ncc(Br)n3n2)c1.OCc1cccc(F)c1.

What is the InChIKey of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine?

The InChIKey is JYIHLEUGYOVPPL-PMSJPJGMSA-N. The full InChI is InChI=1S/C29H31FN4O4.C24H23FN4O2.C22H34BNO5.C13H9BrFN3O.C7H7FO.C6H3BrClN3/c1-29(2,3)38-28(35)33-15-5-8-23(33)19-36-24-11-9-21(10-12-24)25-17-31-26-13-14-27(32-34(25)26)37-18-20-6-4-7-22(30)16-20;25-19-4-1-3-17(13-19)15-31-24-11-10-23-27-14-22(29(23)28-24)18-6-8-21(9-7-18)30-16-20-5-2-12-26-20;1-20(2,3)27-19(25)24-14-8-9-17(24)15-26-18-12-10-16(11-13-18)23-28-21(4,5)22(6,7)29-23;14-11-7-16-12-4-5-13(17-18(11)12)19-8-9-2-1-3-10(15)6-9;8-7-3-1-2-6(4-7)5-9;7-4-3-9-6-2-1-5(8)10-11(4)6/h4,6-7,9-14,16-17,23H,5,8,15,18-19H2,1-3H3;1,3-4,6-11,13-14,20,26H,2,5,12,15-16H2;10-13,17H,8-9,14-15H2,1-7H3;1-7H,8H2;1-4,9H,5H2;1-3H/t23-;20-;17-;;;/m111.../s1.

What are the key properties of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine?

3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 2021.12 g/mol, XLogP of 20.58, 22 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazine;tert-butyl (2R)-2-[[4-[6-[(3-fluorophenyl)methoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(3-fluorophenyl)methanol;6-[(3-fluorophenyl)methoxy]-3-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 159059921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).