2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane

C63H86Br2N16O8Si2 — CID 158187283

About 2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane

2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane (PubChem CID 158187283) has the molecular formula C63H86Br2N16O8Si2 and a molecular weight of 1411.46 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane.

Molecular Properties

• Compound Name: 2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane
• PubChem CID: 158187283
• Molecular Formula: C63H86Br2N16O8Si2
• Molecular Weight: 1411.46 g/mol
• Exact Mass: 1408.47
• IUPAC Name: 2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane
• SMILES: C.CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(-c3ccccn3)nc12)C(=O)N1CCC(C#N)CC1.CC(C)(C)[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(=O)N1CCC(C#N)CC1.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21
• InChI: InChI=1S/C25H37BrN6O3Si.C24H27N7O2.C13H18BrN3O3Si.CH4/c1-25(2,3)21(24(34)31-9-7-17(13-27)8-10-31)30-23(33)18-15-32(16-35-11-12-36(4,5)6)22-20(18)29-19(26)14-28-22;1-24(2,3)20(23(33)31-10-7-15(12-25)8-11-31)30-22(32)16-13-27-21-19(16)29-18(14-28-21)17-6-4-5-9-26-17;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;/h14-15,17,21H,7-12,16H2,1-6H3,(H,30,33);4-6,9,13-15,20H,7-8,10-11H2,1-3H3,(H,27,28)(H,30,32);6-7H,4-5,8H2,1-3H3,(H,18,19);1H4/t21-;20-;;/m00../s1
• InChIKey: FZHKBUZZIRDVIY-PIHDKGLVSA-N
• XLogP: 11.18
• TPSA: 318.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1411.46
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

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-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane?

The IUPAC name of 2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane (CID 158187283) is 2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane.

What is the SMILES notation for 2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane?

The canonical SMILES for 2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane is C.CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(-c3ccccn3)nc12)C(=O)N1CCC(C#N)CC1.CC(C)(C)[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(=O)N1CCC(C#N)CC1.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.

What is the InChIKey of 2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane?

The InChIKey is FZHKBUZZIRDVIY-PIHDKGLVSA-N. The full InChI is InChI=1S/C25H37BrN6O3Si.C24H27N7O2.C13H18BrN3O3Si.CH4/c1-25(2,3)21(24(34)31-9-7-17(13-27)8-10-31)30-23(33)18-15-32(16-35-11-12-36(4,5)6)22-20(18)29-19(26)14-28-22;1-24(2,3)20(23(33)31-10-7-15(12-25)8-11-31)30-22(32)16-13-27-21-19(16)29-18(14-28-21)17-6-4-5-9-26-17;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;/h14-15,17,21H,7-12,16H2,1-6H3,(H,30,33);4-6,9,13-15,20H,7-8,10-11H2,1-3H3,(H,27,28)(H,30,32);6-7H,4-5,8H2,1-3H3,(H,18,19);1H4/t21-;20-;;/m00../s1.

What are the key properties of 2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane?

2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane has a molecular weight of 1411.46 g/mol, XLogP of 11.18, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-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;N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methane is sourced from PubChem (CID 158187283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).