(3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate

C21H34N6O5Si — CID 67008738

About (3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate

(3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate (PubChem CID 67008738) has the molecular formula C21H34N6O5Si and a molecular weight of 478.63 g/mol. Its IUPAC name is (3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

• Compound Name: (3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
• PubChem CID: 67008738
• Molecular Formula: C21H34N6O5Si
• Molecular Weight: 478.63 g/mol
• Exact Mass: 478.24
• IUPAC Name: (3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
• SMILES: CNC(=O)CNc1cnc2c(n1)c(C(=O)OCC(C)(C)C(N)=O)cn2COCC[Si](C)(C)C
• InChI: InChI=1S/C21H34N6O5Si/c1-21(2,20(22)30)12-32-19(29)14-11-27(13-31-7-8-33(4,5)6)18-17(14)26-15(9-25-18)24-10-16(28)23-3/h9,11H,7-8,10,12-13H2,1-6H3,(H2,22,30)(H,23,28)(H,24,26)
• InChIKey: KCPSKZKFGLDTSX-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 150.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.63
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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 (3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?

The IUPAC name of (3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate (CID 67008738) is (3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate.

What is the SMILES notation for (3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?

The canonical SMILES for (3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate is CNC(=O)CNc1cnc2c(n1)c(C(=O)OCC(C)(C)C(N)=O)cn2COCC[Si](C)(C)C.

What is the InChIKey of (3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?

The InChIKey is KCPSKZKFGLDTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O5Si/c1-21(2,20(22)30)12-32-19(29)14-11-27(13-31-7-8-33(4,5)6)18-17(14)26-15(9-25-18)24-10-16(28)23-3/h9,11H,7-8,10,12-13H2,1-6H3,(H2,22,30)(H,23,28)(H,24,26).

What are the key properties of (3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?

(3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate has a molecular weight of 478.63 g/mol, XLogP of 1.57, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 67008738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).