2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C30H35FN6O3Si — CID 71285994

About 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71285994) has the molecular formula C30H35FN6O3Si and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71285994
• Molecular Formula: C30H35FN6O3Si
• Molecular Weight: 574.73 g/mol
• Exact Mass: 574.25
• IUPAC Name: 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(COc1ccccc1)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
• InChI: InChI=1S/C30H35FN6O3Si/c1-20(18-40-22-9-7-6-8-10-22)33-30(38)24-17-37(19-39-13-14-41(3,4)5)29-28(24)34-25(16-32-29)27-23-12-11-21(31)15-26(23)36(2)35-27/h6-12,15-17,20H,13-14,18-19H2,1-5H3,(H,33,38)
• InChIKey: STVVSWQTQBFNPS-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 96.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.73
LogP ≤ 5	5.63
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 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71285994) is 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(COc1ccccc1)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.

What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is STVVSWQTQBFNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O3Si/c1-20(18-40-22-9-7-6-8-10-22)33-30(38)24-17-37(19-39-13-14-41(3,4)5)29-28(24)34-25(16-32-29)27-23-12-11-21(31)15-26(23)36(2)35-27/h6-12,15-17,20H,13-14,18-19H2,1-5H3,(H,33,38).

What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 574.73 g/mol, XLogP of 5.63, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-(1-phenoxypropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71285994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).