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

C40H48N6O5Si — CID 161400159

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

2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one (PubChem CID 161400159) has the molecular formula C40H48N6O5Si and a molecular weight of 720.95 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
• PubChem CID: 161400159
• Molecular Formula: C40H48N6O5Si
• Molecular Weight: 720.95 g/mol
• Exact Mass: 720.35
• IUPAC Name: 2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
• SMILES: CC(C)(C)C(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccccc3)nc12
• InChI: InChI=1S/C23H31N3O3Si.C17H17N3O2/c1-23(2,3)21(27)18-15-26(16-28-12-13-30(4,5)6)22-20(18)25-19(14-24-22)29-17-10-8-7-9-11-17;1-17(2,3)15(21)12-9-18-16-14(12)20-13(10-19-16)22-11-7-5-4-6-8-11/h7-11,14-15H,12-13,16H2,1-6H3;4-10H,1-3H3,(H,18,19)
• InChIKey: VUDARTLZTPVPBZ-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 134.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.95
LogP ≤ 5	9.74
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-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?

The IUPAC name of 2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one (CID 161400159) is 2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one.

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

The canonical SMILES for 2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one is CC(C)(C)C(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccccc3)nc12.

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

The InChIKey is VUDARTLZTPVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3Si.C17H17N3O2/c1-23(2,3)21(27)18-15-26(16-28-12-13-30(4,5)6)22-20(18)25-19(14-24-22)29-17-10-8-7-9-11-17;1-17(2,3)15(21)12-9-18-16-14(12)20-13(10-19-16)22-11-7-5-4-6-8-11/h7-11,14-15H,12-13,16H2,1-6H3;4-10H,1-3H3,(H,18,19).

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

2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one has a molecular weight of 720.95 g/mol, XLogP of 9.74, 11 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-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 161400159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).