1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one

C40H62N8O3Si — CID 159696152

About 1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one

1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one (PubChem CID 159696152) has the molecular formula C40H62N8O3Si and a molecular weight of 731.07 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 159696152
• Molecular Formula: C40H62N8O3Si
• Molecular Weight: 731.07 g/mol
• Exact Mass: 730.47
• IUPAC Name: 1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
• SMILES: CN(c1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1)C1CCCC1.CN(c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2COCC[Si](C)(C)C)C1CCCC1
• InChI: InChI=1S/C23H38N4O2Si.C17H24N4O/c1-23(2,3)21(28)18-15-27(16-29-12-13-30(5,6)7)22-20(18)25-19(14-24-22)26(4)17-10-8-9-11-17;1-17(2,3)15(22)12-9-18-16-14(12)20-13(10-19-16)21(4)11-7-5-6-8-11/h14-15,17H,8-13,16H2,1-7H3;9-11H,5-8H2,1-4H3,(H,18,19)
• InChIKey: MXANYNLJAZZENA-UHFFFAOYSA-N
• XLogP: 8.92
• TPSA: 122.13 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	731.07
LogP ≤ 5	8.92
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 1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one (CID 159696152) is 1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one is CN(c1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1)C1CCCC1.CN(c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2COCC[Si](C)(C)C)C1CCCC1.

What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?

The InChIKey is MXANYNLJAZZENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2Si.C17H24N4O/c1-23(2,3)21(28)18-15-27(16-29-12-13-30(5,6)7)22-20(18)25-19(14-24-22)26(4)17-10-8-9-11-17;1-17(2,3)15(22)12-9-18-16-14(12)20-13(10-19-16)21(4)11-7-5-6-8-11/h14-15,17H,8-13,16H2,1-7H3;9-11H,5-8H2,1-4H3,(H,18,19).

What are the key properties of 1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?

1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one has a molecular weight of 731.07 g/mol, XLogP of 8.92, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[cyclopentyl(methyl)amino]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-[cyclopentyl(methyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 159696152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).