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

C24H37N3O2Si — CID 10916938

IUPAC[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1Cc1c([Si](C)(C)C)[nH]c2ccc(C)cc12
InChIInChI=1S/C24H37N3O2Si/c1-9-28-22-20(25-23(29-10-2)21(27-22)15(3)4)14-18-17-13-16(5)11-12-19(17)26-24(18)30(6,7)8/h11-13,15,20-21,26H,9-10,14H2,1-8H3/t20-,21+/m0/s1
InChIKeyHBOCMOIOHITTJH-LEWJYISDSA-N
MW427.67 g/mol
LogP4.84
Rot. Bonds6

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

[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane (PubChem CID 10916938) has the molecular formula C24H37N3O2Si and a molecular weight of 427.67 g/mol. Its IUPAC name is [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane
PubChem CID10916938
Molecular FormulaC24H37N3O2Si
Molecular Weight427.67 g/mol
Exact Mass427.27
IUPAC Name[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1Cc1c([Si](C)(C)C)[nH]c2ccc(C)cc12
InChIInChI=1S/C24H37N3O2Si/c1-9-28-22-20(25-23(29-10-2)21(27-22)15(3)4)14-18-17-13-16(5)11-12-19(17)26-24(18)30(6,7)8/h11-13,15,20-21,26H,9-10,14H2,1-8H3/t20-,21+/m0/s1
InChIKeyHBOCMOIOHITTJH-LEWJYISDSA-N
XLogP4.84
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.67
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane?
The IUPAC name of [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane (CID 10916938) is [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane.
What is the SMILES notation for [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane?
The canonical SMILES for [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane is CCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1Cc1c([Si](C)(C)C)[nH]c2ccc(C)cc12.
What is the InChIKey of [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane?
The InChIKey is HBOCMOIOHITTJH-LEWJYISDSA-N. The full InChI is InChI=1S/C24H37N3O2Si/c1-9-28-22-20(25-23(29-10-2)21(27-22)15(3)4)14-18-17-13-16(5)11-12-19(17)26-24(18)30(6,7)8/h11-13,15,20-21,26H,9-10,14H2,1-8H3/t20-,21+/m0/s1.
What are the key properties of [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane?
[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane has a molecular weight of 427.67 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane is sourced from PubChem (CID 10916938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).