methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate

C28H37F3N4O4Si — CID 140828909

About methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate

methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate (PubChem CID 140828909) has the molecular formula C28H37F3N4O4Si and a molecular weight of 578.71 g/mol. Its IUPAC name is methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate
• PubChem CID: 140828909
• Molecular Formula: C28H37F3N4O4Si
• Molecular Weight: 578.71 g/mol
• Exact Mass: 578.25
• IUPAC Name: methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate
• SMILES: COC(=O)c1cc(N2CCOCC2)nn2c(Cc3cccc(C(F)(F)F)c3C)c(CO[Si](C)(C)C(C)(C)C)nc12
• InChI: InChI=1S/C28H37F3N4O4Si/c1-18-19(9-8-10-21(18)28(29,30)31)15-23-22(17-39-40(6,7)27(2,3)4)32-25-20(26(36)37-5)16-24(33-35(23)25)34-11-13-38-14-12-34/h8-10,16H,11-15,17H2,1-7H3
• InChIKey: UFMHUQWTQONMHN-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 78.19 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.71
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate?

The IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate (CID 140828909) is methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate.

What is the SMILES notation for methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate?

The canonical SMILES for methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate is COC(=O)c1cc(N2CCOCC2)nn2c(Cc3cccc(C(F)(F)F)c3C)c(CO[Si](C)(C)C(C)(C)C)nc12.

What is the InChIKey of methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate?

The InChIKey is UFMHUQWTQONMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F3N4O4Si/c1-18-19(9-8-10-21(18)28(29,30)31)15-23-22(17-39-40(6,7)27(2,3)4)32-25-20(26(36)37-5)16-24(33-35(23)25)34-11-13-38-14-12-34/h8-10,16H,11-15,17H2,1-7H3.

What are the key properties of methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate?

methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate has a molecular weight of 578.71 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate is sourced from PubChem (CID 140828909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).