[3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane

C41H50BrN3O3Si — CID 178037188

About [3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane

[3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane (PubChem CID 178037188) has the molecular formula C41H50BrN3O3Si and a molecular weight of 740.86 g/mol. Its IUPAC name is [3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
• PubChem CID: 178037188
• Molecular Formula: C41H50BrN3O3Si
• Molecular Weight: 740.86 g/mol
• Exact Mass: 739.28
• IUPAC Name: [3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane
• SMILES: CO[C@@H](C)c1ncc(N2CCOCC2)cc1-c1[nH]c2ccc(Br)cc2c1CC(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C41H50BrN3O3Si/c1-29(46-7)38-35(25-31(27-43-38)45-20-22-47-23-21-45)39-36(34-24-30(42)18-19-37(34)44-39)26-41(5,6)28-48-49(40(2,3)4,32-14-10-8-11-15-32)33-16-12-9-13-17-33/h8-19,24-25,27,29,44H,20-23,26,28H2,1-7H3/t29-/m0/s1
• InChIKey: RSHOMPPSOITQTH-LJAQVGFWSA-N
• XLogP: 8.68
• TPSA: 59.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.86
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane?

The IUPAC name of [3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane (CID 178037188) is [3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane.

What is the SMILES notation for [3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane?

The canonical SMILES for [3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane is CO[C@@H](C)c1ncc(N2CCOCC2)cc1-c1[nH]c2ccc(Br)cc2c1CC(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of [3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane?

The InChIKey is RSHOMPPSOITQTH-LJAQVGFWSA-N. The full InChI is InChI=1S/C41H50BrN3O3Si/c1-29(46-7)38-35(25-31(27-43-38)45-20-22-47-23-21-45)39-36(34-24-30(42)18-19-37(34)44-39)26-41(5,6)28-48-49(40(2,3)4,32-14-10-8-11-15-32)33-16-12-9-13-17-33/h8-19,24-25,27,29,44H,20-23,26,28H2,1-7H3/t29-/m0/s1.

What are the key properties of [3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane?

[3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane has a molecular weight of 740.86 g/mol, XLogP of 8.68, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-bromo-2-[2-[(1S)-1-methoxyethyl]-5-morpholin-4-yl-3-pyridinyl]-1H-indol-3-yl]-2,2-dimethylpropoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 178037188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).