N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide

C30H46N6O3Si2 — CID 71279899

About N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279899) has the molecular formula C30H46N6O3Si2 and a molecular weight of 594.91 g/mol. Its IUPAC name is N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71279899
• Molecular Formula: C30H46N6O3Si2
• Molecular Weight: 594.91 g/mol
• Exact Mass: 594.32
• IUPAC Name: N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nccc4ccn(COCC[Si](C)(C)C)c34)nc12
• InChI: InChI=1S/C30H46N6O3Si2/c1-30(2,3)34-29(37)23-19-36(21-39-15-17-41(7,8)9)28-25(23)33-24(18-32-28)26-27-22(10-12-31-26)11-13-35(27)20-38-14-16-40(4,5)6/h10-13,18-19H,14-17,20-21H2,1-9H3,(H,34,37)
• InChIKey: XXMSOYWRLWFPIN-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 96.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.91
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279899) is N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nccc4ccn(COCC[Si](C)(C)C)c34)nc12.

What is the InChIKey of N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is XXMSOYWRLWFPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N6O3Si2/c1-30(2,3)34-29(37)23-19-36(21-39-15-17-41(7,8)9)28-25(23)33-24(18-32-28)26-27-22(10-12-31-26)11-13-35(27)20-38-14-16-40(4,5)6/h10-13,18-19H,14-17,20-21H2,1-9H3,(H,34,37).

What are the key properties of N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 594.91 g/mol, XLogP of 6.60, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).