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

C105H123BBr2ClN19O9 — CID 158611073

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

3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(1R)-1-phenylethyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[[4-[6-[[(1R)-1-phenylethyl]amino]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-3-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 158611073) has the molecular formula C105H123BBr2ClN19O9 and a molecular weight of 2001.34 g/mol. Its IUPAC name is 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(1R)-1-phenylethyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[[4-[6-[[(1R)-1-phenylethyl]amino]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-3-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(1R)-1-phenylethyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[[4-[6-[[(1R)-1-phenylethyl]amino]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-3-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine
• PubChem CID: 158611073
• Molecular Formula: C105H123BBr2ClN19O9
• Molecular Weight: 2001.34 g/mol
• Exact Mass: 1997.79
• IUPAC Name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(1R)-1-phenylethyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[[4-[6-[[(1R)-1-phenylethyl]amino]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-3-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine
• SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.C[C@@H](N)c1ccccc1.C[C@@H](Nc1ccc2ncc(-c3ccc(OC[C@@H]4CCCN4)cc3)n2n1)c1ccccc1.C[C@@H](Nc1ccc2ncc(-c3ccc(OC[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)n2n1)c1ccccc1.C[C@@H](Nc1ccc2ncc(Br)n2n1)c1ccccc1.Clc1ccc2ncc(Br)n2n1
• InChI: InChI=1S/C30H35N5O3.C25H27N5O.C22H34BNO5.C14H13BrN4.C8H11N.C6H3BrClN3/c1-21(22-9-6-5-7-10-22)32-27-16-17-28-31-19-26(35(28)33-27)23-12-14-25(15-13-23)37-20-24-11-8-18-34(24)29(36)38-30(2,3)4;1-18(19-6-3-2-4-7-19)28-24-13-14-25-27-16-23(30(25)29-24)20-9-11-22(12-10-20)31-17-21-8-5-15-26-21;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;1-10(11-5-3-2-4-6-11)17-13-7-8-14-16-9-12(15)19(14)18-13;1-7(9)8-5-3-2-4-6-8;7-4-3-9-6-2-1-5(8)10-11(4)6/h5-7,9-10,12-17,19,21,24H,8,11,18,20H2,1-4H3,(H,32,33);2-4,6-7,9-14,16,18,21,26H,5,8,15,17H2,1H3,(H,28,29);10-13,17H,8-9,14-15H2,1-7H3;2-10H,1H3,(H,17,18);2-7H,9H2,1H3;1-3H/t21-,24+;18-,21+;17-;10-;7-;/m11011./s1
• InChIKey: HWVRCTPLRORRMA-PYPYSRSMSA-N
• XLogP: 22.33
• TPSA: 300.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2001.34
LogP ≤ 5	22.33
H-Bond Donors ≤ 5	5
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-N-[(1R)-1-phenylethyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[[4-[6-[[(1R)-1-phenylethyl]amino]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-3-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine?

The IUPAC name of 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(1R)-1-phenylethyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[[4-[6-[[(1R)-1-phenylethyl]amino]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-3-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 158611073) is 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(1R)-1-phenylethyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[[4-[6-[[(1R)-1-phenylethyl]amino]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-3-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine.

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

The canonical SMILES for 3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(1R)-1-phenylethyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[[4-[6-[[(1R)-1-phenylethyl]amino]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-3-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine is CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.C[C@@H](N)c1ccccc1.C[C@@H](Nc1ccc2ncc(-c3ccc(OC[C@@H]4CCCN4)cc3)n2n1)c1ccccc1.C[C@@H](Nc1ccc2ncc(-c3ccc(OC[C@@H]4CCCN4C(=O)OC(C)(C)C)cc3)n2n1)c1ccccc1.C[C@@H](Nc1ccc2ncc(Br)n2n1)c1ccccc1.Clc1ccc2ncc(Br)n2n1.

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

The InChIKey is HWVRCTPLRORRMA-PYPYSRSMSA-N. The full InChI is InChI=1S/C30H35N5O3.C25H27N5O.C22H34BNO5.C14H13BrN4.C8H11N.C6H3BrClN3/c1-21(22-9-6-5-7-10-22)32-27-16-17-28-31-19-26(35(28)33-27)23-12-14-25(15-13-23)37-20-24-11-8-18-34(24)29(36)38-30(2,3)4;1-18(19-6-3-2-4-7-19)28-24-13-14-25-27-16-23(30(25)29-24)20-9-11-22(12-10-20)31-17-21-8-5-15-26-21;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;1-10(11-5-3-2-4-6-11)17-13-7-8-14-16-9-12(15)19(14)18-13;1-7(9)8-5-3-2-4-6-8;7-4-3-9-6-2-1-5(8)10-11(4)6/h5-7,9-10,12-17,19,21,24H,8,11,18,20H2,1-4H3,(H,32,33);2-4,6-7,9-14,16,18,21,26H,5,8,15,17H2,1H3,(H,28,29);10-13,17H,8-9,14-15H2,1-7H3;2-10H,1H3,(H,17,18);2-7H,9H2,1H3;1-3H/t21-,24+;18-,21+;17-;10-;7-;/m11011./s1.

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

3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(1R)-1-phenylethyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[[4-[6-[[(1R)-1-phenylethyl]amino]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-3-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 2001.34 g/mol, XLogP of 22.33, 22 rotatable bonds, 5 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-N-[(1R)-1-phenylethyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[[4-[6-[[(1R)-1-phenylethyl]amino]imidazo[1,2-b]pyridazin-3-yl]phenoxy]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyrrolidine-1-carboxylate;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-3-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 158611073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).