2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H38N4O4SSi — CID 67008786

About 2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67008786) has the molecular formula C23H38N4O4SSi and a molecular weight of 494.73 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 67008786
• Molecular Formula: C23H38N4O4SSi
• Molecular Weight: 494.73 g/mol
• Exact Mass: 494.24
• IUPAC Name: 2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)C(C)(C)CS(C)(=O)=O
• InChI: InChI=1S/C23H38N4O4SSi/c1-16(23(2,3)14-32(4,29)30)25-22(28)18-13-27(15-31-10-11-33(5,6)7)21-20(18)26-19(12-24-21)17-8-9-17/h12-13,16-17H,8-11,14-15H2,1-7H3,(H,25,28)/t16-/m0/s1
• InChIKey: MJHSTUYMCBOOJH-INIZCTEOSA-N
• XLogP: 3.81
• TPSA: 103.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.73
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67008786) is 2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)C(C)(C)CS(C)(=O)=O.

What is the InChIKey of 2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is MJHSTUYMCBOOJH-INIZCTEOSA-N. The full InChI is InChI=1S/C23H38N4O4SSi/c1-16(23(2,3)14-32(4,29)30)25-22(28)18-13-27(15-31-10-11-33(5,6)7)21-20(18)26-19(12-24-21)17-8-9-17/h12-13,16-17H,8-11,14-15H2,1-7H3,(H,25,28)/t16-/m0/s1.

What are the key properties of 2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 494.73 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67008786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).