N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate

C51H65BrN12O7Si2 — CID 158921320

About N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate

N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate (PubChem CID 158921320) has the molecular formula C51H65BrN12O7Si2 and a molecular weight of 1094.23 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

• Compound Name: N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
• PubChem CID: 158921320
• Molecular Formula: C51H65BrN12O7Si2
• Molecular Weight: 1094.23 g/mol
• Exact Mass: 1092.38
• IUPAC Name: N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
• SMILES: COC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccccn3)nc12.COC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.C[C@H](NC(=O)c1c[nH]c2ncc(-c3ccccn3)nc12)C(C)(C)C
• InChI: InChI=1S/C19H24N4O3Si.C18H21N5O.C14H20BrN3O3Si/c1-25-19(24)14-12-23(13-26-9-10-27(2,3)4)18-17(14)22-16(11-21-18)15-7-5-6-8-20-15;1-11(18(2,3)4)22-17(24)12-9-20-16-15(12)23-14(10-21-16)13-7-5-6-8-19-13;1-20-14(19)10-8-18(9-21-5-6-22(2,3)4)13-12(10)17-11(15)7-16-13/h5-8,11-12H,9-10,13H2,1-4H3;5-11H,1-4H3,(H,20,21)(H,22,24);7-8H,5-6,9H2,1-4H3/t;11-;/m.0./s1
• InChIKey: JHWIABSHATZUDD-FIQJOUIFSA-N
• XLogP: 10.07
• TPSA: 228.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1094.23
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

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 N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?

The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate (CID 158921320) is N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate.

What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?

The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate is COC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccccn3)nc12.COC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.C[C@H](NC(=O)c1c[nH]c2ncc(-c3ccccn3)nc12)C(C)(C)C.

What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?

The InChIKey is JHWIABSHATZUDD-FIQJOUIFSA-N. The full InChI is InChI=1S/C19H24N4O3Si.C18H21N5O.C14H20BrN3O3Si/c1-25-19(24)14-12-23(13-26-9-10-27(2,3)4)18-17(14)22-16(11-21-18)15-7-5-6-8-20-15;1-11(18(2,3)4)22-17(24)12-9-20-16-15(12)23-14(10-21-16)13-7-5-6-8-19-13;1-20-14(19)10-8-18(9-21-5-6-22(2,3)4)13-12(10)17-11(15)7-16-13/h5-8,11-12H,9-10,13H2,1-4H3;5-11H,1-4H3,(H,20,21)(H,22,24);7-8H,5-6,9H2,1-4H3/t;11-;/m.0./s1.

What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate?

N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate has a molecular weight of 1094.23 g/mol, XLogP of 10.07, 16 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 158921320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).