3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine

C105H115BBr2ClF4N15O13 — CID 159997554

About 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine

3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine (PubChem CID 159997554) has the molecular formula C105H115BBr2ClF4N15O13 and a molecular weight of 2077.23 g/mol. Its IUPAC name is 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine
• PubChem CID: 159997554
• Molecular Formula: C105H115BBr2ClF4N15O13
• Molecular Weight: 2077.23 g/mol
• Exact Mass: 2073.69
• IUPAC Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine
• SMILES: CC(C)(C)OC(=O)N1CCC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.C[C@@H](O)c1cccc(F)c1.C[C@@H](Oc1ccc2ncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2n1)c1cccc(F)c1.C[C@@H](Oc1ccc2ncc(-c3ccc(OC4CCNCC4)cc3)n2n1)c1cccc(F)c1.C[C@@H](Oc1ccc2ncc(Br)n2n1)c1cccc(F)c1.Clc1ccc2ncc(Br)n2n1
• InChI: InChI=1S/C30H33FN4O4.C25H25FN4O2.C22H34BNO5.C14H11BrFN3O.C8H9FO.C6H3BrClN3/c1-20(22-6-5-7-23(31)18-22)37-28-13-12-27-32-19-26(35(27)33-28)21-8-10-24(11-9-21)38-25-14-16-34(17-15-25)29(36)39-30(2,3)4;1-17(19-3-2-4-20(26)15-19)31-25-10-9-24-28-16-23(30(24)29-25)18-5-7-21(8-6-18)32-22-11-13-27-14-12-22;1-20(2,3)27-19(25)24-14-12-18(13-15-24)26-17-10-8-16(9-11-17)23-28-21(4,5)22(6,7)29-23;1-9(10-3-2-4-11(16)7-10)20-14-6-5-13-17-8-12(15)19(13)18-14;1-6(10)7-3-2-4-8(9)5-7;7-4-3-9-6-2-1-5(8)10-11(4)6/h5-13,18-20,25H,14-17H2,1-4H3;2-10,15-17,22,27H,11-14H2,1H3;8-11,18H,12-15H2,1-7H3;2-9H,1H3;2-6,10H,1H3;1-3H/t20-;17-;;9-;6-;/m11.11./s1
• InChIKey: OHSVVISYSWVFBK-NBDZGPPUSA-N
• XLogP: 22.82
• TPSA: 285.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2077.23
LogP ≤ 5	22.82
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-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine?

The IUPAC name of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine (CID 159997554) is 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine.

What is the SMILES notation for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine?

The canonical SMILES for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine is CC(C)(C)OC(=O)N1CCC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.C[C@@H](O)c1cccc(F)c1.C[C@@H](Oc1ccc2ncc(-c3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3)n2n1)c1cccc(F)c1.C[C@@H](Oc1ccc2ncc(-c3ccc(OC4CCNCC4)cc3)n2n1)c1cccc(F)c1.C[C@@H](Oc1ccc2ncc(Br)n2n1)c1cccc(F)c1.Clc1ccc2ncc(Br)n2n1.

What is the InChIKey of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine?

The InChIKey is OHSVVISYSWVFBK-NBDZGPPUSA-N. The full InChI is InChI=1S/C30H33FN4O4.C25H25FN4O2.C22H34BNO5.C14H11BrFN3O.C8H9FO.C6H3BrClN3/c1-20(22-6-5-7-23(31)18-22)37-28-13-12-27-32-19-26(35(27)33-28)21-8-10-24(11-9-21)38-25-14-16-34(17-15-25)29(36)39-30(2,3)4;1-17(19-3-2-4-20(26)15-19)31-25-10-9-24-28-16-23(30(24)29-25)18-5-7-21(8-6-18)32-22-11-13-27-14-12-22;1-20(2,3)27-19(25)24-14-12-18(13-15-24)26-17-10-8-16(9-11-17)23-28-21(4,5)22(6,7)29-23;1-9(10-3-2-4-11(16)7-10)20-14-6-5-13-17-8-12(15)19(13)18-14;1-6(10)7-3-2-4-8(9)5-7;7-4-3-9-6-2-1-5(8)10-11(4)6/h5-13,18-20,25H,14-17H2,1-4H3;2-10,15-17,22,27H,11-14H2,1H3;8-11,18H,12-15H2,1-7H3;2-9H,1H3;2-6,10H,1H3;1-3H/t20-;17-;;9-;6-;/m11.11./s1.

What are the key properties of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine?

3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 2077.23 g/mol, XLogP of 22.82, 19 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-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazine;tert-butyl 4-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenoxy]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate;(1R)-1-(3-fluorophenyl)ethanol;6-[(1R)-1-(3-fluorophenyl)ethoxy]-3-(4-piperidin-4-yloxyphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 159997554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).