2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

C105H128BrClN22O9 — CID 167565189

About 2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (PubChem CID 167565189) has the molecular formula C105H128BrClN22O9 and a molecular weight of 1957.68 g/mol. Its IUPAC name is 2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.

Molecular Properties

• Compound Name: 2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
• PubChem CID: 167565189
• Molecular Formula: C105H128BrClN22O9
• Molecular Weight: 1957.68 g/mol
• Exact Mass: 1954.91
• IUPAC Name: 2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
• SMILES: CN1CC2CNCCN2c2ccc([N+](=O)[O-])cc21.CO.Cc1cc(-c2ccccc2)c(C(=O)C(=O)Cl)n1C.Cc1cc(C)nc(Br)c1.Cc1cc(C)nc(N2CCCN(C)c3cc(N)ccc3NCC2)c1.Cc1cc(C)nc(N2CCCN(C)c3cc([N+](=O)[O-])ccc3NCC2)c1.Cc1cc(C)nc(N2CCN3c4ccc(NC(=O)C(=O)c5c(-c6ccccc6)cc(C)n5C)cc4N(C)CC3C2)c1
• InChI: InChI=1S/C33H36N6O2.C19H25N5O2.C19H27N5.C14H12ClNO2.C12H16N4O2.C7H8BrN.CH4O/c1-21-15-22(2)34-30(16-21)38-13-14-39-26(20-38)19-36(4)29-18-25(11-12-28(29)39)35-33(41)32(40)31-27(17-23(3)37(31)5)24-9-7-6-8-10-24;1-14-11-15(2)21-19(12-14)23-9-4-8-22(3)18-13-16(24(25)26)5-6-17(18)20-7-10-23;1-14-11-15(2)22-19(12-14)24-9-4-8-23(3)18-13-16(20)5-6-17(18)21-7-10-24;1-9-8-11(10-6-4-3-5-7-10)12(16(9)2)13(17)14(15)18;1-14-8-10-7-13-4-5-15(10)11-3-2-9(16(17)18)6-12(11)14;1-5-3-6(2)9-7(8)4-5;1-2/h6-12,15-18,26H,13-14,19-20H2,1-5H3,(H,35,41);5-6,11-13,20H,4,7-10H2,1-3H3;5-6,11-13,21H,4,7-10,20H2,1-3H3;3-8H,1-2H3;2-3,6,10,13H,4-5,7-8H2,1H3;3-4H,1-2H3;2H,1H3
• InChIKey: FENFETZZCZXZFB-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 339.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1957.68
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?

The IUPAC name of 2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (CID 167565189) is 2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.

What is the SMILES notation for 2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?

The canonical SMILES for 2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is CN1CC2CNCCN2c2ccc([N+](=O)[O-])cc21.CO.Cc1cc(-c2ccccc2)c(C(=O)C(=O)Cl)n1C.Cc1cc(C)nc(Br)c1.Cc1cc(C)nc(N2CCCN(C)c3cc(N)ccc3NCC2)c1.Cc1cc(C)nc(N2CCCN(C)c3cc([N+](=O)[O-])ccc3NCC2)c1.Cc1cc(C)nc(N2CCN3c4ccc(NC(=O)C(=O)c5c(-c6ccccc6)cc(C)n5C)cc4N(C)CC3C2)c1.

What is the InChIKey of 2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?

The InChIKey is FENFETZZCZXZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N6O2.C19H25N5O2.C19H27N5.C14H12ClNO2.C12H16N4O2.C7H8BrN.CH4O/c1-21-15-22(2)34-30(16-21)38-13-14-39-26(20-38)19-36(4)29-18-25(11-12-28(29)39)35-33(41)32(40)31-27(17-23(3)37(31)5)24-9-7-6-8-10-24;1-14-11-15(2)21-19(12-14)23-9-4-8-22(3)18-13-16(24(25)26)5-6-17(18)20-7-10-23;1-14-11-15(2)22-19(12-14)24-9-4-8-23(3)18-13-16(20)5-6-17(18)21-7-10-24;1-9-8-11(10-6-4-3-5-7-10)12(16(9)2)13(17)14(15)18;1-14-8-10-7-13-4-5-15(10)11-3-2-9(16(17)18)6-12(11)14;1-5-3-6(2)9-7(8)4-5;1-2/h6-12,15-18,26H,13-14,19-20H2,1-5H3,(H,35,41);5-6,11-13,20H,4,7-10H2,1-3H3;5-6,11-13,21H,4,7-10,20H2,1-3H3;3-8H,1-2H3;2-3,6,10,13H,4-5,7-8H2,1H3;3-4H,1-2H3;2H,1H3.

What are the key properties of 2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?

2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline has a molecular weight of 1957.68 g/mol, XLogP of 17.22, 12 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4,6-dimethylpyridine;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(4,6-dimethyl-2-pyridinyl)-6-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecin-10-amine;4-(4,6-dimethyl-2-pyridinyl)-8-methyl-10-nitro-1,2,3,5,6,7-hexahydro-1,4,8-benzotriazecine;methanol;6-methyl-8-nitro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is sourced from PubChem (CID 167565189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).