2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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

C65H83B2Br2N17O10 — CID 158805818

About 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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 (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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 158805818) has the molecular formula C65H83B2Br2N17O10 and a molecular weight of 1443.92 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 (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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 (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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: 158805818
• Molecular Formula: C65H83B2Br2N17O10
• Molecular Weight: 1443.92 g/mol
• Exact Mass: 1441.51
• IUPAC Name: 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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)nc2N(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/C22H25N7O3.C15H19BrN2O3.C14H19BN4O2.C9H15BN2O2.C5H5BrN2/c1-14(2)32-22(31)28-11-15(3)29(16(4)30)20-6-5-19(26-21(20)28)17-9-25-27(12-17)13-18-10-23-7-8-24-18;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/h5-10,12,14-15H,11,13H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-9H,10H2,1-4H3;5-6H,1-4H3,(H,11,12);1-2,4H,3H2/t15-;10-;;;/m00.../s1
• InChIKey: IUBHJIPFAOXHGA-OCYPIMCKSA-N
• XLogP: 9.55
• TPSA: 291.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.92
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

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 (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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 (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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 158805818) is 2-(bromomethyl)pyrazine;propan-2-yl (3S)-4-acetyl-7-bromo-3-methyl-2,3-dihydroquinoxaline-1-carboxylate;propan-2-yl (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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 (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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 (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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)nc2N(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 (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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 IUBHJIPFAOXHGA-OCYPIMCKSA-N. The full InChI is InChI=1S/C22H25N7O3.C15H19BrN2O3.C14H19BN4O2.C9H15BN2O2.C5H5BrN2/c1-14(2)32-22(31)28-11-15(3)29(16(4)30)20-6-5-19(26-21(20)28)17-9-25-27(12-17)13-18-10-23-7-8-24-18;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/h5-10,12,14-15H,11,13H2,1-4H3;5-7,9-10H,8H2,1-4H3;5-9H,10H2,1-4H3;5-6H,1-4H3,(H,11,12);1-2,4H,3H2/t15-;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 (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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 (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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 1443.92 g/mol, XLogP of 9.55, 10 rotatable bonds, 1 hydrogen bond donors, and 22 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 (2S)-1-acetyl-2-methyl-6-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]-2,3-dihydropyrido[2,3-b]pyrazine-4-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 158805818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).