bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid

C116H131F15N24O25 — CID 161206912

IUPACbis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)c1nc[nH]c1C=O.COC(=O)c1nc[nH]c1CN(C(=O)c1ccc(OC)cc1)[C@@H](C)CO.COC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)C2.COC(=O)c1ncn2c1CN(Cc1ccc(OC)cc1)[C@@H](C)C2.COC(=O)c1ncn2c1CN[C@@H](C)C2.COc1ccc(C(=O)N[C@@H](C)CO)cc1.C[C@H]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/2C19H19F5N4O2.C17H21N3O5.C17H21N3O3.C16H16F2N4O3.C11H15NO3.C9H13N3O2.C6H6N2O3.C2HF3O2/c2*1-10(19(22,23)24)5-16(29)17-15-8-28(11(2)7-27(15)9-25-17)18(30)26-12-3-4-13(20)14(21)6-12;1-11(9-21)20(8-14-15(17(23)25-3)19-10-18-14)16(22)12-4-6-13(24-2)7-5-12;1-12-8-20-11-18-16(17(21)23-3)15(20)10-19(12)9-13-4-6-14(22-2)7-5-13;1-9-6-21-8-19-14(15(23)25-2)13(21)7-22(9)16(24)20-10-3-4-11(17)12(18)5-10;1-8(7-13)12-11(14)9-3-5-10(15-2)6-4-9;1-6-4-12-5-11-8(9(13)14-2)7(12)3-10-6;1-11-6(10)5-4(2-9)7-3-8-5;3-2(4,5)1(6)7/h2*3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30);4-7,10-11,21H,8-9H2,1-3H3,(H,18,19);4-7,11-12H,8-10H2,1-3H3;3-5,8-9H,6-7H2,1-2H3,(H,20,24);3-6,8,13H,7H2,1-2H3,(H,12,14);5-6,10H,3-4H2,1-2H3;2-3H,1H3,(H,7,8);(H,6,7)/t2*10-,11-;11-;12-;9-;8-;6-;;/m0000000../s1
InChIKeyDWVNAYDHVJCRPU-ONNVJCENSA-N
MW2546.44 g/mol
LogP16.04
Rot. Bonds28

About bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid

bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 161206912) has the molecular formula C116H131F15N24O25 and a molecular weight of 2546.44 g/mol. Its IUPAC name is bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namebis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID161206912
Molecular FormulaC116H131F15N24O25
Molecular Weight2546.44 g/mol
Exact Mass2544.95
IUPAC Namebis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)c1nc[nH]c1C=O.COC(=O)c1nc[nH]c1CN(C(=O)c1ccc(OC)cc1)[C@@H](C)CO.COC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)C2.COC(=O)c1ncn2c1CN(Cc1ccc(OC)cc1)[C@@H](C)C2.COC(=O)c1ncn2c1CN[C@@H](C)C2.COc1ccc(C(=O)N[C@@H](C)CO)cc1.C[C@H]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/2C19H19F5N4O2.C17H21N3O5.C17H21N3O3.C16H16F2N4O3.C11H15NO3.C9H13N3O2.C6H6N2O3.C2HF3O2/c2*1-10(19(22,23)24)5-16(29)17-15-8-28(11(2)7-27(15)9-25-17)18(30)26-12-3-4-13(20)14(21)6-12;1-11(9-21)20(8-14-15(17(23)25-3)19-10-18-14)16(22)12-4-6-13(24-2)7-5-12;1-12-8-20-11-18-16(17(21)23-3)15(20)10-19(12)9-13-4-6-14(22-2)7-5-13;1-9-6-21-8-19-14(15(23)25-2)13(21)7-22(9)16(24)20-10-3-4-11(17)12(18)5-10;1-8(7-13)12-11(14)9-3-5-10(15-2)6-4-9;1-6-4-12-5-11-8(9(13)14-2)7(12)3-10-6;1-11-6(10)5-4(2-9)7-3-8-5;3-2(4,5)1(6)7/h2*3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30);4-7,10-11,21H,8-9H2,1-3H3,(H,18,19);4-7,11-12H,8-10H2,1-3H3;3-5,8-9H,6-7H2,1-2H3,(H,20,24);3-6,8,13H,7H2,1-2H3,(H,12,14);5-6,10H,3-4H2,1-2H3;2-3H,1H3,(H,7,8);(H,6,7)/t2*10-,11-;11-;12-;9-;8-;6-;;/m0000000../s1
InChIKeyDWVNAYDHVJCRPU-ONNVJCENSA-N
XLogP16.04
TPSA596.32 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002546.44
LogP ≤ 516.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

tert-butyl 4-[7-benzyl-1-(2,2-dimethylpropanoyloxymethyl)-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(2,2-dimethylpropanoyloxymethyl)-7-(2-ethenylphenyl)-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(2,2-dimethylpropanoyloxymethyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]piperazine-1-carboxylate;7-(2-methoxyphenyl)-3-methyl-1-phenacyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-methoxyphenyl)-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;bis(2,2,2-trifluoroacetic acid)
CID 158520266
5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);5-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]pentanoic acid;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide
CID 167592205
Piperazine, 1-benzoyl-4-[2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,2-dioxoethyl]-& Ac-YTSLIHSLIEESQNQQEKNEQELLELDKWASLWNWF-NH2
CID 16186131
ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[7-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carbonyl]amino]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-oxo-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanoic acid;4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]-1H-pyrrole-2-carboxylic acid;hydrochloride
CID 159164369

Frequently Asked Questions

What is the IUPAC name of bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid (CID 161206912) is bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid is COC(=O)c1nc[nH]c1C=O.COC(=O)c1nc[nH]c1CN(C(=O)c1ccc(OC)cc1)[C@@H](C)CO.COC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)C2.COC(=O)c1ncn2c1CN(Cc1ccc(OC)cc1)[C@@H](C)C2.COC(=O)c1ncn2c1CN[C@@H](C)C2.COc1ccc(C(=O)N[C@@H](C)CO)cc1.C[C@H]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H]1Cn2cnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.O=C(O)C(F)(F)F.
What is the InChIKey of bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is DWVNAYDHVJCRPU-ONNVJCENSA-N. The full InChI is InChI=1S/2C19H19F5N4O2.C17H21N3O5.C17H21N3O3.C16H16F2N4O3.C11H15NO3.C9H13N3O2.C6H6N2O3.C2HF3O2/c2*1-10(19(22,23)24)5-16(29)17-15-8-28(11(2)7-27(15)9-25-17)18(30)26-12-3-4-13(20)14(21)6-12;1-11(9-21)20(8-14-15(17(23)25-3)19-10-18-14)16(22)12-4-6-13(24-2)7-5-12;1-12-8-20-11-18-16(17(21)23-3)15(20)10-19(12)9-13-4-6-14(22-2)7-5-13;1-9-6-21-8-19-14(15(23)25-2)13(21)7-22(9)16(24)20-10-3-4-11(17)12(18)5-10;1-8(7-13)12-11(14)9-3-5-10(15-2)6-4-9;1-6-4-12-5-11-8(9(13)14-2)7(12)3-10-6;1-11-6(10)5-4(2-9)7-3-8-5;3-2(4,5)1(6)7/h2*3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30);4-7,10-11,21H,8-9H2,1-3H3,(H,18,19);4-7,11-12H,8-10H2,1-3H3;3-5,8-9H,6-7H2,1-2H3,(H,20,24);3-6,8,13H,7H2,1-2H3,(H,12,14);5-6,10H,3-4H2,1-2H3;2-3H,1H3,(H,7,8);(H,6,7)/t2*10-,11-;11-;12-;9-;8-;6-;;/m0000000../s1.
What are the key properties of bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid?
bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 2546.44 g/mol, XLogP of 16.04, 28 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for bis((6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);N-[(2S)-1-hydroxypropan-2-yl]-4-methoxybenzamide;methyl (6S)-7-[(3,4-difluorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl 5-formyl-1H-imidazole-4-carboxylate;methyl 5-[[[(2S)-1-hydroxypropan-2-yl]-(4-methoxybenzoyl)amino]methyl]-1H-imidazole-4-carboxylate;methyl (6S)-7-[(4-methoxyphenyl)methyl]-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161206912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).