2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C31H42N8O5Si — CID 158448323

About 2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 158448323) has the molecular formula C31H42N8O5Si and a molecular weight of 634.81 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 158448323
• Molecular Formula: C31H42N8O5Si
• Molecular Weight: 634.81 g/mol
• Exact Mass: 634.30
• IUPAC Name: 2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: C[C@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N(C)C.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(C3CC3)cnc21
• InChI: InChI=1S/C16H23N3O3Si.C15H19N5O2/c1-23(2,3)7-6-22-10-19-9-12(16(20)21)14-15(19)17-8-13(18-14)11-4-5-11;1-8(15(22)20(2)3)18-14(21)10-6-16-13-12(10)19-11(7-17-13)9-4-5-9/h8-9,11H,4-7,10H2,1-3H3,(H,20,21);6-9H,4-5H2,1-3H3,(H,16,17)(H,18,21)/t;8-/m.0/s1
• InChIKey: HDQYERPMGVEXCK-WDBKTSHHSA-N
• XLogP: 4.36
• TPSA: 168.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.81
LogP ≤ 5	4.36
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 2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of 2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 158448323) is 2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

What is the SMILES notation for 2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The canonical SMILES for 2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is C[C@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N(C)C.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(C3CC3)cnc21.

What is the InChIKey of 2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is HDQYERPMGVEXCK-WDBKTSHHSA-N. The full InChI is InChI=1S/C16H23N3O3Si.C15H19N5O2/c1-23(2,3)7-6-22-10-19-9-12(16(20)21)14-15(19)17-8-13(18-14)11-4-5-11;1-8(15(22)20(2)3)18-14(21)10-6-16-13-12(10)19-11(7-17-13)9-4-5-9/h8-9,11H,4-7,10H2,1-3H3,(H,20,21);6-9H,4-5H2,1-3H3,(H,16,17)(H,18,21)/t;8-/m.0/s1.

What are the key properties of 2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 634.81 g/mol, XLogP of 4.36, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 158448323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).