[2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane

C27H43N3O3Si — CID 11827010

About [2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane

[2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane (PubChem CID 11827010) has the molecular formula C27H43N3O3Si and a molecular weight of 485.75 g/mol. Its IUPAC name is [2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane.

Molecular Properties

• Compound Name: [2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane
• PubChem CID: 11827010
• Molecular Formula: C27H43N3O3Si
• Molecular Weight: 485.75 g/mol
• Exact Mass: 485.31
• IUPAC Name: [2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane
• SMILES: CCOC1=N[C@H](Cc2[nH]c3ccc(OC)cc3c2[Si](CC)(CC)CC)C(OCC)=N[C@H]1C(C)C
• InChI: InChI=1S/C27H43N3O3Si/c1-9-32-26-23(29-27(33-10-2)24(30-26)18(6)7)17-22-25(34(11-3,12-4)13-5)20-16-19(31-8)14-15-21(20)28-22/h14-16,18,23-24,28H,9-13,17H2,1-8H3/t23-,24+/m1/s1
• InChIKey: OAWRIZZFLSQWQP-RPWUZVMVSA-N
• XLogP: 5.71
• TPSA: 68.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.75
LogP ≤ 5	5.71
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 [2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane?

The IUPAC name of [2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane (CID 11827010) is [2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane.

What is the SMILES notation for [2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane?

The canonical SMILES for [2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane is CCOC1=N[C@H](Cc2[nH]c3ccc(OC)cc3c2[Si](CC)(CC)CC)C(OCC)=N[C@H]1C(C)C.

What is the InChIKey of [2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane?

The InChIKey is OAWRIZZFLSQWQP-RPWUZVMVSA-N. The full InChI is InChI=1S/C27H43N3O3Si/c1-9-32-26-23(29-27(33-10-2)24(30-26)18(6)7)17-22-25(34(11-3,12-4)13-5)20-16-19(31-8)14-15-21(20)28-22/h14-16,18,23-24,28H,9-13,17H2,1-8H3/t23-,24+/m1/s1.

What are the key properties of [2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane?

[2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane has a molecular weight of 485.75 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxy-1H-indol-3-yl]-triethylsilane is sourced from PubChem (CID 11827010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).