N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine

C35H55FN6O2Si — CID 140828944

About N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine

N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 140828944) has the molecular formula C35H55FN6O2Si and a molecular weight of 638.95 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

• Compound Name: N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
• PubChem CID: 140828944
• Molecular Formula: C35H55FN6O2Si
• Molecular Weight: 638.95 g/mol
• Exact Mass: 638.41
• IUPAC Name: N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
• SMILES: Cc1nc2c(NC(C)(C)C)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1C1CCN(CCO[Si](C)(C)C(C)(C)C)CC1
• InChI: InChI=1S/C35H55FN6O2Si/c1-25-30(42-33(37-25)29(38-34(2,3)4)24-31(39-42)41-18-20-43-21-19-41)23-27-11-10-12-28(36)32(27)26-13-15-40(16-14-26)17-22-44-45(8,9)35(5,6)7/h10-12,24,26,38H,13-23H2,1-9H3
• InChIKey: ONRRHKOHOROKBJ-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 67.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.95
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
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 N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?

The IUPAC name of N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine (CID 140828944) is N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine.

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

The canonical SMILES for N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine is Cc1nc2c(NC(C)(C)C)cc(N3CCOCC3)nn2c1Cc1cccc(F)c1C1CCN(CCO[Si](C)(C)C(C)(C)C)CC1.

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

The InChIKey is ONRRHKOHOROKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H55FN6O2Si/c1-25-30(42-33(37-25)29(38-34(2,3)4)24-31(39-42)41-18-20-43-21-19-41)23-27-11-10-12-28(36)32(27)26-13-15-40(16-14-26)17-22-44-45(8,9)35(5,6)7/h10-12,24,26,38H,13-23H2,1-9H3.

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

N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 638.95 g/mol, XLogP of 7.02, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 140828944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).