N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C25H34N8O3SSi — CID 71288342

About N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288342) has the molecular formula C25H34N8O3SSi and a molecular weight of 554.75 g/mol. Its IUPAC name is N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71288342
• Molecular Formula: C25H34N8O3SSi
• Molecular Weight: 554.75 g/mol
• Exact Mass: 554.22
• IUPAC Name: N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4ccsc34)nc12)C(=O)N1CC(N)C1
• InChI: InChI=1S/C25H34N8O3SSi/c1-15(25(35)32-11-16(26)12-32)28-24(34)17-13-33(14-36-7-9-38(3,4)5)23-20(17)29-18(10-27-23)21-22-19(6-8-37-22)31(2)30-21/h6,8,10,13,15-16H,7,9,11-12,14,26H2,1-5H3,(H,28,34)/t15-/m1/s1
• InChIKey: IPITWJYKAXJVNP-OAHLLOKOSA-N
• XLogP: 2.65
• TPSA: 133.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.75
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288342) is N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4ccsc34)nc12)C(=O)N1CC(N)C1.

What is the InChIKey of N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is IPITWJYKAXJVNP-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H34N8O3SSi/c1-15(25(35)32-11-16(26)12-32)28-24(34)17-13-33(14-36-7-9-38(3,4)5)23-20(17)29-18(10-27-23)21-22-19(6-8-37-22)31(2)30-21/h6,8,10,13,15-16H,7,9,11-12,14,26H2,1-5H3,(H,28,34)/t15-/m1/s1.

What are the key properties of N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 554.75 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylthieno[3,2-c]pyrazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).