dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride

C101H146Cl2F3Mg2N13O17 — CID 159522699

About dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride

dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride (PubChem CID 159522699) has the molecular formula C101H146Cl2F3Mg2N13O17 and a molecular weight of 1990.86 g/mol. Its IUPAC name is dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride.

Molecular Properties

• Compound Name: dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride
• PubChem CID: 159522699
• Molecular Formula: C101H146Cl2F3Mg2N13O17
• Molecular Weight: 1990.86 g/mol
• Exact Mass: 1988.00
• IUPAC Name: dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride
• SMILES: C1CCOC1.C1CCOC1.CC(C)(C)CC(=O)c1nc(-c2ccccc2)n2c1CN(C(=O)OC(C)(C)C)CC2.CC(C)(C)CC(=O)c1nc(-c2ccccc2)n2c1CNCC2.CCOC.COC(=O)c1nc(-c2ccccc2)n2c1CN(C(=O)OC(C)(C)C)CC2.CON(C)C(=O)c1nc(-c2ccccc2)n2c1CN(C(=O)OC(C)(C)C)CC2.C[CH-]C.O=C(O)C(F)(F)F.[CH2-]C(C)(C)C.[Cl-].[Cl-].[Mg+2].[Mg+2]
• InChI: InChI=1S/C23H31N3O3.C20H26N4O4.C19H23N3O4.C18H23N3O.C5H11.2C4H8O.C3H8O.C3H7.C2HF3O2.2ClH.2Mg/c1-22(2,3)14-18(27)19-17-15-25(21(28)29-23(4,5)6)12-13-26(17)20(24-19)16-10-8-7-9-11-16;1-20(2,3)28-19(26)23-11-12-24-15(13-23)16(18(25)22(4)27-5)21-17(24)14-9-7-6-8-10-14;1-19(2,3)26-18(24)21-10-11-22-14(12-21)15(17(23)25-4)20-16(22)13-8-6-5-7-9-13;1-18(2,3)11-15(22)16-14-12-19-9-10-21(14)17(20-16)13-7-5-4-6-8-13;1-5(2,3)4;2*1-2-4-5-3-1;1-3-4-2;1-3-2;3-2(4,5)1(6)7;;;;/h7-11H,12-15H2,1-6H3;6-10H,11-13H2,1-5H3;5-9H,10-12H2,1-4H3;4-8,19H,9-12H2,1-3H3;1H2,2-4H3;2*1-4H2;3H2,1-2H3;3H,1-2H3;(H,6,7);2*1H;;/q;;;;-1;;;;-1;;;;2*+2/p-2
• InChIKey: WXULIFFABAOJDB-UHFFFAOYSA-L
• XLogP: 13.44
• TPSA: 326.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1990.86
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride?

The IUPAC name of dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride (CID 159522699) is dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride.

What is the SMILES notation for dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride?

The canonical SMILES for dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride is C1CCOC1.C1CCOC1.CC(C)(C)CC(=O)c1nc(-c2ccccc2)n2c1CN(C(=O)OC(C)(C)C)CC2.CC(C)(C)CC(=O)c1nc(-c2ccccc2)n2c1CNCC2.CCOC.COC(=O)c1nc(-c2ccccc2)n2c1CN(C(=O)OC(C)(C)C)CC2.CON(C)C(=O)c1nc(-c2ccccc2)n2c1CN(C(=O)OC(C)(C)C)CC2.C[CH-]C.O=C(O)C(F)(F)F.[CH2-]C(C)(C)C.[Cl-].[Cl-].[Mg+2].[Mg+2].

What is the InChIKey of dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride?

The InChIKey is WXULIFFABAOJDB-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H31N3O3.C20H26N4O4.C19H23N3O4.C18H23N3O.C5H11.2C4H8O.C3H8O.C3H7.C2HF3O2.2ClH.2Mg/c1-22(2,3)14-18(27)19-17-15-25(21(28)29-23(4,5)6)12-13-26(17)20(24-19)16-10-8-7-9-11-16;1-20(2,3)28-19(26)23-11-12-24-15(13-23)16(18(25)22(4)27-5)21-17(24)14-9-7-6-8-10-14;1-19(2,3)26-18(24)21-10-11-22-14(12-21)15(17(23)25-4)20-16(22)13-8-6-5-7-9-13;1-18(2,3)11-15(22)16-14-12-19-9-10-21(14)17(20-16)13-7-5-4-6-8-13;1-5(2,3)4;2*1-2-4-5-3-1;1-3-4-2;1-3-2;3-2(4,5)1(6)7;;;;/h7-11H,12-15H2,1-6H3;6-10H,11-13H2,1-5H3;5-9H,10-12H2,1-4H3;4-8,19H,9-12H2,1-3H3;1H2,2-4H3;2*1-4H2;3H2,1-2H3;3H,1-2H3;(H,6,7);2*1H;;/q;;;;-1;;;;-1;;;;2*+2/p-2.

What are the key properties of dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride?

dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride has a molecular weight of 1990.86 g/mol, XLogP of 13.44, 12 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for dimagnesium;tert-butyl 1-(3,3-dimethylbutanoyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 1-[methoxy(methyl)carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;7-O-tert-butyl 1-O-methyl 3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;3,3-dimethyl-1-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)butan-1-one;2-methanidyl-2-methylpropane;methoxyethane;oxolane;propane;2,2,2-trifluoroacetic acid;dichloride is sourced from PubChem (CID 159522699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).