1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine

C29H45FN2O2Si — CID 56984254

About 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine

1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine (PubChem CID 56984254) has the molecular formula C29H45FN2O2Si and a molecular weight of 500.78 g/mol. Its IUPAC name is 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine.

Molecular Properties

• Compound Name: 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine
• PubChem CID: 56984254
• Molecular Formula: C29H45FN2O2Si
• Molecular Weight: 500.78 g/mol
• Exact Mass: 500.32
• IUPAC Name: 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine
• SMILES: CC(C)c1nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c(-c2ccc(F)cc2)c1C=NOC(C)(C)C
• InChI: InChI=1S/C29H45FN2O2Si/c1-19(2)26-23(17-31-34-28(5,6)7)25(21-13-15-22(30)16-14-21)24(27(32-26)20(3)4)18-33-35(11,12)29(8,9)10/h13-17,19-20H,18H2,1-12H3
• InChIKey: OFERLRCZJPQKED-UHFFFAOYSA-N
• XLogP: 8.81
• TPSA: 43.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.78
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine?

The IUPAC name of 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine (CID 56984254) is 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine.

What is the SMILES notation for 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine?

The canonical SMILES for 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine is CC(C)c1nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c(-c2ccc(F)cc2)c1C=NOC(C)(C)C.

What is the InChIKey of 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine?

The InChIKey is OFERLRCZJPQKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45FN2O2Si/c1-19(2)26-23(17-31-34-28(5,6)7)25(21-13-15-22(30)16-14-21)24(27(32-26)20(3)4)18-33-35(11,12)29(8,9)10/h13-17,19-20H,18H2,1-12H3.

What are the key properties of 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine?

1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine has a molecular weight of 500.78 g/mol, XLogP of 8.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxy]methanimine is sourced from PubChem (CID 56984254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).