2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C34H47BrN10O5Si — CID 157290227

About 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 157290227) has the molecular formula C34H47BrN10O5Si and a molecular weight of 783.80 g/mol. Its IUPAC name is 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 157290227
• Molecular Formula: C34H47BrN10O5Si
• Molecular Weight: 783.80 g/mol
• Exact Mass: 782.27
• IUPAC Name: 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)(CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)nc1
• InChI: InChI=1S/C17H27BrN4O3Si.C17H20N6O2/c1-17(2,10-23)21-16(24)12-9-22(11-25-6-7-26(3,4)5)15-14(12)20-13(18)8-19-15;1-10-4-5-12(18-6-10)21-13-8-20-15-14(22-13)11(7-19-15)16(25)23-17(2,3)9-24/h8-9,23H,6-7,10-11H2,1-5H3,(H,21,24);4-8,24H,9H2,1-3H3,(H,19,20)(H,23,25)(H,18,21,22)
• InChIKey: BASDPRRUUVPVPK-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 205.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	783.80
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

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-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 157290227) is 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)nc1.

What is the InChIKey of 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is BASDPRRUUVPVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN4O3Si.C17H20N6O2/c1-17(2,10-23)21-16(24)12-9-22(11-25-6-7-26(3,4)5)15-14(12)20-13(18)8-19-15;1-10-4-5-12(18-6-10)21-13-8-20-15-14(22-13)11(7-19-15)16(25)23-17(2,3)9-24/h8-9,23H,6-7,10-11H2,1-5H3,(H,21,24);4-8,24H,9H2,1-3H3,(H,19,20)(H,23,25)(H,18,21,22).

What are the key properties of 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 783.80 g/mol, XLogP of 4.91, 13 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 157290227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).