4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone

C58H58BClF6N8O6 — CID 159681141

About 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone

4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 159681141) has the molecular formula C58H58BClF6N8O6 and a molecular weight of 1123.40 g/mol. Its IUPAC name is 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 159681141
• Molecular Formula: C58H58BClF6N8O6
• Molecular Weight: 1123.40 g/mol
• Exact Mass: 1122.42
• IUPAC Name: 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
• SMILES: Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(N2CCOCC2)c2nccn2n1
• InChI: InChI=1S/C26H23F3N4O2.C22H24BF3O3.C10H11ClN4O/c1-17-5-6-19(24(34)14-18-3-2-4-20(13-18)26(27,28)29)15-21(17)22-16-23(32-9-11-35-12-10-32)25-30-7-8-33(25)31-22;1-14-9-10-16(13-18(14)23-28-20(2,3)21(4,5)29-23)19(27)12-15-7-6-8-17(11-15)22(24,25)26;11-9-7-8(14-3-5-16-6-4-14)10-12-1-2-15(10)13-9/h2-8,13,15-16H,9-12,14H2,1H3;6-11,13H,12H2,1-5H3;1-2,7H,3-6H2
• InChIKey: MVFIWSXQDOZWIV-UHFFFAOYSA-N
• XLogP: 10.94
• TPSA: 137.92 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1123.40
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

The IUPAC name of 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 159681141) is 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

What is the SMILES notation for 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

The canonical SMILES for 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone is Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(N2CCOCC2)c2nccn2n1.

What is the InChIKey of 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

The InChIKey is MVFIWSXQDOZWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2.C22H24BF3O3.C10H11ClN4O/c1-17-5-6-19(24(34)14-18-3-2-4-20(13-18)26(27,28)29)15-21(17)22-16-23(32-9-11-35-12-10-32)25-30-7-8-33(25)31-22;1-14-9-10-16(13-18(14)23-28-20(2,3)21(4,5)29-23)19(27)12-15-7-6-8-17(11-15)22(24,25)26;11-9-7-8(14-3-5-16-6-4-14)10-12-1-2-15(10)13-9/h2-8,13,15-16H,9-12,14H2,1H3;6-11,13H,12H2,1-5H3;1-2,7H,3-6H2.

What are the key properties of 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 1123.40 g/mol, XLogP of 10.94, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)morpholine;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 159681141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).