2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

C19H23N3O3Si — CID 86657872

IUPAC2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(C=O)c2nc(Oc3ccccc3)cnc21
InChIInChI=1S/C19H23N3O3Si/c1-26(2,3)10-9-24-14-22-12-15(13-23)18-19(22)20-11-17(21-18)25-16-7-5-4-6-8-16/h4-8,11-13H,9-10,14H2,1-3H3
InChIKeyARADVBLYOSAIBN-UHFFFAOYSA-N
MW369.50 g/mol
LogP4.35
Rot. Bonds8

About 2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 86657872) has the molecular formula C19H23N3O3Si and a molecular weight of 369.50 g/mol. Its IUPAC name is 2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
PubChem CID86657872
Molecular FormulaC19H23N3O3Si
Molecular Weight369.50 g/mol
Exact Mass369.15
IUPAC Name2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(C=O)c2nc(Oc3ccccc3)cnc21
InChIInChI=1S/C19H23N3O3Si/c1-26(2,3)10-9-24-14-22-12-15(13-23)18-19(22)20-11-17(21-18)25-16-7-5-4-6-8-16/h4-8,11-13H,9-10,14H2,1-3H3
InChIKeyARADVBLYOSAIBN-UHFFFAOYSA-N
XLogP4.35
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The IUPAC name of 2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 86657872) is 2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.
What is the SMILES notation for 2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The canonical SMILES for 2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is C[Si](C)(C)CCOCn1cc(C=O)c2nc(Oc3ccccc3)cnc21.
What is the InChIKey of 2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The InChIKey is ARADVBLYOSAIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3Si/c1-26(2,3)10-9-24-14-22-12-15(13-23)18-19(22)20-11-17(21-18)25-16-7-5-4-6-8-16/h4-8,11-13H,9-10,14H2,1-3H3.
What are the key properties of 2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 369.50 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 86657872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).