7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride

C97H116Cl2F24N20O22 — CID 158081377

IUPAC7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride
SMILESCC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1.CC1c2c(C(=O)O)nc(C(F)(F)F)n2CCN1C(=O)OC(C)(C)C.COC(=O)c1nc(C(F)(F)F)n2c1C(C)N(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2.COC(=O)c1nc(C(F)(F)F)n2c1C(C)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.COC(=O)c1nc(C(F)(F)F)n2c1C(C)N(C(=O)OC(C)(C)C)CC2.COC(=O)c1nc(C(F)(F)F)n2c1C(C)NCC2.Cl.Cl
InChIInChI=1S/C25H28F6N4O5.C20H20F6N4O3.C15H20F3N3O4.C14H18F3N3O4.C13H16F3N3O4.C10H12F3N3O2.2ClH/c1-12-20-19(21(37)39-5)33-22(25(29,30)31)35(20)7-6-34(12)18(36)10-14(32-23(38)40-24(2,3)4)8-13-9-16(27)17(28)11-15(13)26;1-9-17-16(18(32)33-2)28-19(20(24,25)26)30(17)4-3-29(9)15(31)7-11(27)5-10-6-13(22)14(23)8-12(10)21;1-8-10-9(11(22)24-5)19-12(15(16,17)18)21(10)7-6-20(8)13(23)25-14(2,3)4;1-7-9-8(10(21)22)18-11(14(15,16)17)20(9)6-5-19(7)12(23)24-13(2,3)4;1-12(2,3)23-11(22)18-4-5-19-7(6-18)8(9(20)21)17-10(19)13(14,15)16;1-5-7-6(8(17)18-2)15-9(10(11,12)13)16(7)4-3-14-5;;/h9,11-12,14H,6-8,10H2,1-5H3,(H,32,38);6,8-9,11H,3-5,7,27H2,1-2H3;8H,6-7H2,1-5H3;7H,5-6H2,1-4H3,(H,21,22);4-6H2,1-3H3,(H,20,21);5,14H,3-4H2,1-2H3;2*1H/t12?,14-;9?,11-;;;;;;/m11....../s1
InChIKeyKIVMTSYRQSXGKH-WFWVBSGHSA-N
MW2440.97 g/mol
LogP17.96
Rot. Bonds15

About 7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride

7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride (PubChem CID 158081377) has the molecular formula C97H116Cl2F24N20O22 and a molecular weight of 2440.97 g/mol. Its IUPAC name is 7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride
PubChem CID158081377
Molecular FormulaC97H116Cl2F24N20O22
Molecular Weight2440.97 g/mol
Exact Mass2438.76
IUPAC Name7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride
SMILESCC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1.CC1c2c(C(=O)O)nc(C(F)(F)F)n2CCN1C(=O)OC(C)(C)C.COC(=O)c1nc(C(F)(F)F)n2c1C(C)N(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2.COC(=O)c1nc(C(F)(F)F)n2c1C(C)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.COC(=O)c1nc(C(F)(F)F)n2c1C(C)N(C(=O)OC(C)(C)C)CC2.COC(=O)c1nc(C(F)(F)F)n2c1C(C)NCC2.Cl.Cl
InChIInChI=1S/C25H28F6N4O5.C20H20F6N4O3.C15H20F3N3O4.C14H18F3N3O4.C13H16F3N3O4.C10H12F3N3O2.2ClH/c1-12-20-19(21(37)39-5)33-22(25(29,30)31)35(20)7-6-34(12)18(36)10-14(32-23(38)40-24(2,3)4)8-13-9-16(27)17(28)11-15(13)26;1-9-17-16(18(32)33-2)28-19(20(24,25)26)30(17)4-3-29(9)15(31)7-11(27)5-10-6-13(22)14(23)8-12(10)21;1-8-10-9(11(22)24-5)19-12(15(16,17)18)21(10)7-6-20(8)13(23)25-14(2,3)4;1-7-9-8(10(21)22)18-11(14(15,16)17)20(9)6-5-19(7)12(23)24-13(2,3)4;1-12(2,3)23-11(22)18-4-5-19-7(6-18)8(9(20)21)17-10(19)13(14,15)16;1-5-7-6(8(17)18-2)15-9(10(11,12)13)16(7)4-3-14-5;;/h9,11-12,14H,6-8,10H2,1-5H3,(H,32,38);6,8-9,11H,3-5,7,27H2,1-2H3;8H,6-7H2,1-5H3;7H,5-6H2,1-4H3,(H,21,22);4-6H2,1-3H3,(H,20,21);5,14H,3-4H2,1-2H3;2*1H/t12?,14-;9?,11-;;;;;;/m11....../s1
InChIKeyKIVMTSYRQSXGKH-WFWVBSGHSA-N
XLogP17.96
TPSA492.34 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds15
Heavy Atoms165
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002440.97
LogP ≤ 517.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride?
The IUPAC name of 7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride (CID 158081377) is 7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride.
What is the SMILES notation for 7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride?
The canonical SMILES for 7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride is CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1.CC1c2c(C(=O)O)nc(C(F)(F)F)n2CCN1C(=O)OC(C)(C)C.COC(=O)c1nc(C(F)(F)F)n2c1C(C)N(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2.COC(=O)c1nc(C(F)(F)F)n2c1C(C)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.COC(=O)c1nc(C(F)(F)F)n2c1C(C)N(C(=O)OC(C)(C)C)CC2.COC(=O)c1nc(C(F)(F)F)n2c1C(C)NCC2.Cl.Cl.
What is the InChIKey of 7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride?
The InChIKey is KIVMTSYRQSXGKH-WFWVBSGHSA-N. The full InChI is InChI=1S/C25H28F6N4O5.C20H20F6N4O3.C15H20F3N3O4.C14H18F3N3O4.C13H16F3N3O4.C10H12F3N3O2.2ClH/c1-12-20-19(21(37)39-5)33-22(25(29,30)31)35(20)7-6-34(12)18(36)10-14(32-23(38)40-24(2,3)4)8-13-9-16(27)17(28)11-15(13)26;1-9-17-16(18(32)33-2)28-19(20(24,25)26)30(17)4-3-29(9)15(31)7-11(27)5-10-6-13(22)14(23)8-12(10)21;1-8-10-9(11(22)24-5)19-12(15(16,17)18)21(10)7-6-20(8)13(23)25-14(2,3)4;1-7-9-8(10(21)22)18-11(14(15,16)17)20(9)6-5-19(7)12(23)24-13(2,3)4;1-12(2,3)23-11(22)18-4-5-19-7(6-18)8(9(20)21)17-10(19)13(14,15)16;1-5-7-6(8(17)18-2)15-9(10(11,12)13)16(7)4-3-14-5;;/h9,11-12,14H,6-8,10H2,1-5H3,(H,32,38);6,8-9,11H,3-5,7,27H2,1-2H3;8H,6-7H2,1-5H3;7H,5-6H2,1-4H3,(H,21,22);4-6H2,1-3H3,(H,20,21);5,14H,3-4H2,1-2H3;2*1H/t12?,14-;9?,11-;;;;;;/m11....../s1.
What are the key properties of 7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride?
7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride has a molecular weight of 2440.97 g/mol, XLogP of 17.96, 15 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 7-O-tert-butyl 1-O-methyl 8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;8-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;methyl 8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride is sourced from PubChem (CID 158081377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).