2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one

C38H46N8O3Si — CID 158009960

About 2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one

2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one (PubChem CID 158009960) has the molecular formula C38H46N8O3Si and a molecular weight of 690.93 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
• PubChem CID: 158009960
• Molecular Formula: C38H46N8O3Si
• Molecular Weight: 690.93 g/mol
• Exact Mass: 690.35
• IUPAC Name: 2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
• SMILES: CC(C)(C)C(=O)c1c[nH]c2ncc(-c3ccccn3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccccn3)nc12
• InChI: InChI=1S/C22H30N4O2Si.C16H16N4O/c1-22(2,3)20(27)16-14-26(15-28-11-12-29(4,5)6)21-19(16)25-18(13-24-21)17-9-7-8-10-23-17;1-16(2,3)14(21)10-8-18-15-13(10)20-12(9-19-15)11-6-4-5-7-17-11/h7-10,13-14H,11-12,15H2,1-6H3;4-9H,1-3H3,(H,18,19)
• InChIKey: FETKUYUJVRUANH-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 141.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.93
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	1
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 2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?

The IUPAC name of 2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one (CID 158009960) is 2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one.

What is the SMILES notation for 2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?

The canonical SMILES for 2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one is CC(C)(C)C(=O)c1c[nH]c2ncc(-c3ccccn3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccccn3)nc12.

What is the InChIKey of 2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?

The InChIKey is FETKUYUJVRUANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2Si.C16H16N4O/c1-22(2,3)20(27)16-14-26(15-28-11-12-29(4,5)6)21-19(16)25-18(13-24-21)17-9-7-8-10-23-17;1-16(2,3)14(21)10-8-18-15-13(10)20-12(9-19-15)11-6-4-5-7-17-11/h7-10,13-14H,11-12,15H2,1-6H3;4-9H,1-3H3,(H,18,19).

What are the key properties of 2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?

2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one has a molecular weight of 690.93 g/mol, XLogP of 8.28, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 158009960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).