2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine

C57H69BrF2N16O6S2Si2 — CID 158656869

About 2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine

2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine (PubChem CID 158656869) has the molecular formula C57H69BrF2N16O6S2Si2 and a molecular weight of 1312.49 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine
• PubChem CID: 158656869
• Molecular Formula: C57H69BrF2N16O6S2Si2
• Molecular Weight: 1312.49 g/mol
• Exact Mass: 1310.37
• IUPAC Name: 2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine
• SMILES: CSc1nc(-c2cnc3c(n2)c(C(=O)N[C@H](C)C(=O)N2CC(C#N)C2)cn3COCC[Si](C)(C)C)c2ccc(F)cn12.CSc1nc(C)c2ccc(F)cn12.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(=O)N1CC(C#N)C1
• InChI: InChI=1S/C28H33FN8O3SSi.C20H27BrN6O3Si.C9H9FN2S/c1-17(27(39)35-12-18(10-30)13-35)32-26(38)20-15-36(16-40-8-9-42(3,4)5)25-23(20)33-21(11-31-25)24-22-7-6-19(29)14-37(22)28(34-24)41-2;1-13(20(29)26-9-14(7-22)10-26)24-19(28)15-11-27(12-30-5-6-31(2,3)4)18-17(15)25-16(21)8-23-18;1-6-8-4-3-7(10)5-12(8)9(11-6)13-2/h6-7,11,14-15,17-18H,8-9,12-13,16H2,1-5H3,(H,32,38);8,11,13-14H,5-6,9-10,12H2,1-4H3,(H,24,28);3-5H,1-2H3/t17-;13-;/m11./s1
• InChIKey: ICGDIRUTYKIEBS-IJRGIRCESA-N
• XLogP: 9.13
• TPSA: 260.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1312.49
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine?

The IUPAC name of 2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine (CID 158656869) is 2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine.

What is the SMILES notation for 2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine?

The canonical SMILES for 2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine is CSc1nc(-c2cnc3c(n2)c(C(=O)N[C@H](C)C(=O)N2CC(C#N)C2)cn3COCC[Si](C)(C)C)c2ccc(F)cn12.CSc1nc(C)c2ccc(F)cn12.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(=O)N1CC(C#N)C1.

What is the InChIKey of 2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine?

The InChIKey is ICGDIRUTYKIEBS-IJRGIRCESA-N. The full InChI is InChI=1S/C28H33FN8O3SSi.C20H27BrN6O3Si.C9H9FN2S/c1-17(27(39)35-12-18(10-30)13-35)32-26(38)20-15-36(16-40-8-9-42(3,4)5)25-23(20)33-21(11-31-25)24-22-7-6-19(29)14-37(22)28(34-24)41-2;1-13(20(29)26-9-14(7-22)10-26)24-19(28)15-11-27(12-30-5-6-31(2,3)4)18-17(15)25-16(21)8-23-18;1-6-8-4-3-7(10)5-12(8)9(11-6)13-2/h6-7,11,14-15,17-18H,8-9,12-13,16H2,1-5H3,(H,32,38);8,11,13-14H,5-6,9-10,12H2,1-4H3,(H,24,28);3-5H,1-2H3/t17-;13-;/m11./s1.

What are the key properties of 2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine?

2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine has a molecular weight of 1312.49 g/mol, XLogP of 9.13, 19 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine is sourced from PubChem (CID 158656869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).