2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine

C₆₆H₈₄B₂Br₂N₁₆O₁₀ — CID 158002058

About 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine

2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine (PubChem CID 158002058) has the molecular formula C₆₆H₈₄B₂Br₂N₁₆O₁₀ and a molecular weight of 1442.93 g/mol. Its IUPAC name is 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine.

Molecular Properties

• Compound Name: 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine
• PubChem CID: 158002058
• Molecular Formula: C₆₆H₈₄B₂Br₂N₁₆O₁₀
• Molecular Weight: 1442.93 g/mol
• Exact Mass: 1440.51
• IUPAC Name: 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine
• SMILES: BrCc1cnccn1.CC(=O)N1c2ccc(-c3cnn(Cc4cnccn4)c3)cc2N(C(=O)OC(C)C)C[C@@H]1C.CC(=O)N1c2ccc(Br)cc2N(C(=O)OC(C)C)C[C@@H]1C.CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(Cc3cnccn3)c2)OC1(C)C
• InChI: InChI=1S/C23H26N6O3.C15H19BrN2O3.C14H19BN4O2.C9H15BN2O2.C5H5BrN2/c1-15(2)32-23(31)28-12-16(3)29(17(4)30)21-6-5-18(9-22(21)28)19-10-26-27(13-19)14-20-11-24-7-8-25-20;1-9(2)21-15(20)17-8-10(3)18(11(4)19)13-6-5-12(16)7-14(13)17;1-13(2)14(3,4)21-15(20-13)11-7-18-19(9-11)10-12-8-16-5-6-17-12;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;6-3-5-4-7-1-2-8-5/h5-11,13,15-16H,12,14H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-9H,10H2,1-4H3;5-6H,1-4H3,(H,11,12);1-2,4H,3H2/t16-;10-;;;/m00.../s1
• InChIKey: FDVUXBXQKRCPJI-KBFPIYEXSA-N
• XLogP: 10.15
• TPSA: 278.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1442.93
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine?

The IUPAC name of 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine (CID 158002058) is 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine.

What is the SMILES notation for 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine?

The canonical SMILES for 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine is BrCc1cnccn1.CC(=O)N1c2ccc(-c3cnn(Cc4cnccn4)c3)cc2N(C(=O)OC(C)C)C[C@@H]1C.CC(=O)N1c2ccc(Br)cc2N(C(=O)OC(C)C)C[C@@H]1C.CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(Cc3cnccn3)c2)OC1(C)C.

What is the InChIKey of 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine?

The InChIKey is FDVUXBXQKRCPJI-KBFPIYEXSA-N. The full InChI is InChI=1S/C23H26N6O3.C15H19BrN2O3.C14H19BN4O2.C9H15BN2O2.C5H5BrN2/c1-15(2)32-23(31)28-12-16(3)29(17(4)30)21-6-5-18(9-22(21)28)19-10-26-27(13-19)14-20-11-24-7-8-25-20;1-9(2)21-15(20)17-8-10(3)18(11(4)19)13-6-5-12(16)7-14(13)17;1-13(2)14(3,4)21-15(20-13)11-7-18-19(9-11)10-12-8-16-5-6-17-12;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;6-3-5-4-7-1-2-8-5/h5-11,13,15-16H,12,14H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-9H,10H2,1-4H3;5-6H,1-4H3,(H,11,12);1-2,4H,3H2/t16-;10-;;;/m00.../s1.

What are the key properties of 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine?

2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine has a molecular weight of 1442.93 g/mol, XLogP of 10.15, 10 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrazine is sourced from PubChem (CID 158002058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158002058 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.