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

C32H44F3N7O4SSi — CID 140828932

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

4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 140828932) has the molecular formula C32H44F3N7O4SSi and a molecular weight of 707.90 g/mol. Its IUPAC name is 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

• Compound Name: 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide
• PubChem CID: 140828932
• Molecular Formula: C32H44F3N7O4SSi
• Molecular Weight: 707.90 g/mol
• Exact Mass: 707.29
• IUPAC Name: 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide
• SMILES: Cc1c(Cc2c(CO[Si](C)(C)C(C)(C)C)nc3c(-c4cn(S(=O)(=O)N(C)C)cn4)cc(N4CCOC(C)C4)nn23)cccc1C(F)(F)F
• InChI: InChI=1S/C32H44F3N7O4SSi/c1-21-17-40(13-14-45-21)29-16-24(26-18-41(20-36-26)47(43,44)39(6)7)30-37-27(19-46-48(8,9)31(3,4)5)28(42(30)38-29)15-23-11-10-12-25(22(23)2)32(33,34)35/h10-12,16,18,20-21H,13-15,17,19H2,1-9H3
• InChIKey: AOPQDJXFVDVIND-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 107.09 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.90
LogP ≤ 5	5.91
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-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide?

The IUPAC name of 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide (CID 140828932) is 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide.

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

The canonical SMILES for 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide is Cc1c(Cc2c(CO[Si](C)(C)C(C)(C)C)nc3c(-c4cn(S(=O)(=O)N(C)C)cn4)cc(N4CCOC(C)C4)nn23)cccc1C(F)(F)F.

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

The InChIKey is AOPQDJXFVDVIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44F3N7O4SSi/c1-21-17-40(13-14-45-21)29-16-24(26-18-41(20-36-26)47(43,44)39(6)7)30-37-27(19-46-48(8,9)31(3,4)5)28(42(30)38-29)15-23-11-10-12-25(22(23)2)32(33,34)35/h10-12,16,18,20-21H,13-15,17,19H2,1-9H3.

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

4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 707.90 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 140828932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).