N-[(2R)-1-(4-aminopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H39BrN6O3Si — CID 89424900

About N-[(2R)-1-(4-aminopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2R)-1-(4-aminopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 89424900) has the molecular formula C24H39BrN6O3Si and a molecular weight of 567.61 g/mol. Its IUPAC name is N-[(2R)-1-(4-aminopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(4-aminopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 89424900
• Molecular Formula: C24H39BrN6O3Si
• Molecular Weight: 567.61 g/mol
• Exact Mass: 566.20
• IUPAC Name: N-[(2R)-1-(4-aminopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)(C)[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(=O)N1CCC(N)CC1
• InChI: InChI=1S/C24H39BrN6O3Si/c1-24(2,3)20(23(33)30-9-7-16(26)8-10-30)29-22(32)17-14-31(15-34-11-12-35(4,5)6)21-19(17)28-18(25)13-27-21/h13-14,16,20H,7-12,15,26H2,1-6H3,(H,29,32)/t20-/m0/s1
• InChIKey: YGHBFJYRILYUSL-FQEVSTJZSA-N
• XLogP: 3.60
• TPSA: 115.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.61
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-[(2R)-1-(4-aminopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[(2R)-1-(4-aminopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 89424900) is N-[(2R)-1-(4-aminopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

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

The canonical SMILES for N-[(2R)-1-(4-aminopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(=O)N1CCC(N)CC1.

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

The InChIKey is YGHBFJYRILYUSL-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H39BrN6O3Si/c1-24(2,3)20(23(33)30-9-7-16(26)8-10-30)29-22(32)17-14-31(15-34-11-12-35(4,5)6)21-19(17)28-18(25)13-27-21/h13-14,16,20H,7-12,15,26H2,1-6H3,(H,29,32)/t20-/m0/s1.

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

N-[(2R)-1-(4-aminopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 567.61 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(4-aminopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 89424900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).