2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine

C42H58Br2N10O5Si2 — CID 162032599

About 2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine

2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine (PubChem CID 162032599) has the molecular formula C42H58Br2N10O5Si2 and a molecular weight of 998.97 g/mol. Its IUPAC name is 2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine.

Molecular Properties

• Compound Name: 2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine
• PubChem CID: 162032599
• Molecular Formula: C42H58Br2N10O5Si2
• Molecular Weight: 998.97 g/mol
• Exact Mass: 996.25
• IUPAC Name: 2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine
• SMILES: CC(Cc1ccccn1)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CC(N)Cc1ccccn1.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21
• InChI: InChI=1S/C21H28BrN5O2Si.C13H18BrN3O3Si.C8H12N2/c1-15(11-16-7-5-6-8-23-16)25-21(28)17-13-27(14-29-9-10-30(2,3)4)20-19(17)26-18(22)12-24-20;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;1-7(9)6-8-4-2-3-5-10-8/h5-8,12-13,15H,9-11,14H2,1-4H3,(H,25,28);6-7H,4-5,8H2,1-3H3,(H,18,19);2-5,7H,6,9H2,1H3
• InChIKey: YWFOOJBGPWMPBF-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 198.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	998.97
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine?

The IUPAC name of 2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine (CID 162032599) is 2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine.

What is the SMILES notation for 2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine?

The canonical SMILES for 2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine is CC(Cc1ccccn1)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CC(N)Cc1ccccn1.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.

What is the InChIKey of 2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine?

The InChIKey is YWFOOJBGPWMPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28BrN5O2Si.C13H18BrN3O3Si.C8H12N2/c1-15(11-16-7-5-6-8-23-16)25-21(28)17-13-27(14-29-9-10-30(2,3)4)20-19(17)26-18(22)12-24-20;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;1-7(9)6-8-4-2-3-5-10-8/h5-8,12-13,15H,9-11,14H2,1-4H3,(H,25,28);6-7H,4-5,8H2,1-3H3,(H,18,19);2-5,7H,6,9H2,1H3.

What are the key properties of 2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine?

2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine has a molecular weight of 998.97 g/mol, XLogP of 8.44, 17 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-(1-pyridin-2-ylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;1-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 162032599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).