4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide

C32H44F3N7O4SSi — CID 140828934

About 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide

4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 140828934) has the molecular formula C32H44F3N7O4SSi and a molecular weight of 707.90 g/mol. Its IUPAC name is 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

• Compound Name: 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide
• PubChem CID: 140828934
• Molecular Formula: C32H44F3N7O4SSi
• Molecular Weight: 707.90 g/mol
• Exact Mass: 707.29
• IUPAC Name: 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide
• SMILES: Cc1c(Cc2c(CCO[Si](C)(C)C(C)(C)C)nc3c(-c4cn(S(=O)(=O)N(C)C)cn4)cc(N4CCOCC4)nn23)cccc1C(F)(F)F
• InChI: InChI=1S/C32H44F3N7O4SSi/c1-22-23(10-9-11-25(22)32(33,34)35)18-28-26(12-15-46-48(7,8)31(2,3)4)37-30-24(27-20-41(21-36-27)47(43,44)39(5)6)19-29(38-42(28)30)40-13-16-45-17-14-40/h9-11,19-21H,12-18H2,1-8H3
• InChIKey: ACJHKTHVBRJIFG-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 107.09 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.90
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide?

The IUPAC name of 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide (CID 140828934) is 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide.

What is the SMILES notation for 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide?

The canonical SMILES for 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide is Cc1c(Cc2c(CCO[Si](C)(C)C(C)(C)C)nc3c(-c4cn(S(=O)(=O)N(C)C)cn4)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.

What is the InChIKey of 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide?

The InChIKey is ACJHKTHVBRJIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44F3N7O4SSi/c1-22-23(10-9-11-25(22)32(33,34)35)18-28-26(12-15-46-48(7,8)31(2,3)4)37-30-24(27-20-41(21-36-27)47(43,44)39(5)6)19-29(38-42(28)30)40-13-16-45-17-14-40/h9-11,19-21H,12-18H2,1-8H3.

What are the key properties of 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide?

4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 707.90 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 140828934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).