N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide

C230H272F4N40O31 — CID 161400882

IUPACN-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)CC1CCOCC1)c1ncc(Cc2ccccc2)[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CC1CC1)c1ncc(Cc2ccccc2)[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCCC2C)C(=O)C[C@@H](C)c2ncc(-c3ccccc3)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccc(F)cc3)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccccc3)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccccc3F)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)c2ncc(-c3ccccc3)[nH]2)no1
InChIInChI=1S/C32H38N4O3.C30H30F2N6O4.C30H32N6O4.C30H42N4O4.2C27H32FN5O4.2C27H33N5O4/c1-22(32-33-21-26(34-32)18-23-9-4-2-5-10-23)17-29(37)27(35-30(38)19-24-14-15-24)20-31(39)36-16-8-13-28(36)25-11-6-3-7-12-25;1-17-13-24(37-42-17)30(41)36-23(15-27(39)38-12-6-9-26(38)19-7-4-3-5-8-19)29(40)34-18(2)28-33-16-25(35-28)21-11-10-20(31)14-22(21)32;1-19-16-24(35-40-19)30(39)34-23(17-27(37)36-15-9-14-26(36)22-12-7-4-8-13-22)29(38)32-20(2)28-31-18-25(33-28)21-10-5-3-6-11-21;1-21(30-31-20-25(32-30)17-23-9-4-3-5-10-23)16-27(35)26(19-29(37)34-13-7-6-8-22(34)2)33-28(36)18-24-11-14-38-15-12-24;1-16(26-29-15-23(30-26)19-9-4-5-10-20(19)28)12-24(34)21(31-27(36)22-13-18(3)37-32-22)14-25(35)33-11-7-6-8-17(33)2;1-16(26-29-15-23(30-26)19-7-9-20(28)10-8-19)12-24(34)21(31-27(36)22-13-18(3)37-32-22)14-25(35)33-11-5-4-6-17(33)2;2*1-17(26-28-16-23(29-26)20-10-5-4-6-11-20)13-24(33)21(30-27(35)22-14-19(3)36-31-22)15-25(34)32-12-8-7-9-18(32)2/h2-7,9-12,21-22,24,27-28H,8,13-20H2,1H3,(H,33,34)(H,35,38);3-5,7-8,10-11,13-14,16,18,23,26H,6,9,12,15H2,1-2H3,(H,33,35)(H,34,40)(H,36,41);3-8,10-13,16,18,20,23,26H,9,14-15,17H2,1-2H3,(H,31,33)(H,32,38)(H,34,39);3-5,9-10,20-22,24,26H,6-8,11-19H2,1-2H3,(H,31,32)(H,33,36);4-5,9-10,13,15-17,21H,6-8,11-12,14H2,1-3H3,(H,29,30)(H,31,36);7-10,13,15-17,21H,4-6,11-12,14H2,1-3H3,(H,29,30)(H,31,36);2*4-6,10-11,14,16-18,21H,7-9,12-13,15H2,1-3H3,(H,28,29)(H,30,35)/t22-,27+,28-;18-,23-,26+;20-,23-,26+;21-,22+,26+;2*16-,17+,21+;17-,18?,21+;17-,18+,21+/m10011111/s1
InChIKeyVUFJTKHTEDBSER-HAYUTMDVSA-N
MW4168.95 g/mol
LogP34.12
Rot. Bonds77

About N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide

N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 161400882) has the molecular formula C230H272F4N40O31 and a molecular weight of 4168.95 g/mol. Its IUPAC name is N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID161400882
Molecular FormulaC230H272F4N40O31
Molecular Weight4168.95 g/mol
Exact Mass4166.09
IUPAC NameN-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)CC1CCOCC1)c1ncc(Cc2ccccc2)[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CC1CC1)c1ncc(Cc2ccccc2)[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCCC2C)C(=O)C[C@@H](C)c2ncc(-c3ccccc3)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccc(F)cc3)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccccc3)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccccc3F)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)c2ncc(-c3ccccc3)[nH]2)no1
InChIInChI=1S/C32H38N4O3.C30H30F2N6O4.C30H32N6O4.C30H42N4O4.2C27H32FN5O4.2C27H33N5O4/c1-22(32-33-21-26(34-32)18-23-9-4-2-5-10-23)17-29(37)27(35-30(38)19-24-14-15-24)20-31(39)36-16-8-13-28(36)25-11-6-3-7-12-25;1-17-13-24(37-42-17)30(41)36-23(15-27(39)38-12-6-9-26(38)19-7-4-3-5-8-19)29(40)34-18(2)28-33-16-25(35-28)21-11-10-20(31)14-22(21)32;1-19-16-24(35-40-19)30(39)34-23(17-27(37)36-15-9-14-26(36)22-12-7-4-8-13-22)29(38)32-20(2)28-31-18-25(33-28)21-10-5-3-6-11-21;1-21(30-31-20-25(32-30)17-23-9-4-3-5-10-23)16-27(35)26(19-29(37)34-13-7-6-8-22(34)2)33-28(36)18-24-11-14-38-15-12-24;1-16(26-29-15-23(30-26)19-9-4-5-10-20(19)28)12-24(34)21(31-27(36)22-13-18(3)37-32-22)14-25(35)33-11-7-6-8-17(33)2;1-16(26-29-15-23(30-26)19-7-9-20(28)10-8-19)12-24(34)21(31-27(36)22-13-18(3)37-32-22)14-25(35)33-11-5-4-6-17(33)2;2*1-17(26-28-16-23(29-26)20-10-5-4-6-11-20)13-24(33)21(30-27(35)22-14-19(3)36-31-22)15-25(34)32-12-8-7-9-18(32)2/h2-7,9-12,21-22,24,27-28H,8,13-20H2,1H3,(H,33,34)(H,35,38);3-5,7-8,10-11,13-14,16,18,23,26H,6,9,12,15H2,1-2H3,(H,33,35)(H,34,40)(H,36,41);3-8,10-13,16,18,20,23,26H,9,14-15,17H2,1-2H3,(H,31,33)(H,32,38)(H,34,39);3-5,9-10,20-22,24,26H,6-8,11-19H2,1-2H3,(H,31,32)(H,33,36);4-5,9-10,13,15-17,21H,6-8,11-12,14H2,1-3H3,(H,29,30)(H,31,36);7-10,13,15-17,21H,4-6,11-12,14H2,1-3H3,(H,29,30)(H,31,36);2*4-6,10-11,14,16-18,21H,7-9,12-13,15H2,1-3H3,(H,28,29)(H,30,35)/t22-,27+,28-;18-,23-,26+;20-,23-,26+;21-,22+,26+;2*16-,17+,21+;17-,18?,21+;17-,18+,21+/m10011111/s1
InChIKeyVUFJTKHTEDBSER-HAYUTMDVSA-N
XLogP34.12
TPSA950.75 Ų
H-Bond Donors18
H-Bond Acceptors45
Rotatable Bonds77
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004168.95
LogP ≤ 534.12
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1045

Analyze N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide (CID 161400882) is N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide is C[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)CC1CCOCC1)c1ncc(Cc2ccccc2)[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CC1CC1)c1ncc(Cc2ccccc2)[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCCC2C)C(=O)C[C@@H](C)c2ncc(-c3ccccc3)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccc(F)cc3)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccccc3)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccccc3F)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3F)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)c2ncc(-c3ccccc3)[nH]2)no1.
What is the InChIKey of N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is VUFJTKHTEDBSER-HAYUTMDVSA-N. The full InChI is InChI=1S/C32H38N4O3.C30H30F2N6O4.C30H32N6O4.C30H42N4O4.2C27H32FN5O4.2C27H33N5O4/c1-22(32-33-21-26(34-32)18-23-9-4-2-5-10-23)17-29(37)27(35-30(38)19-24-14-15-24)20-31(39)36-16-8-13-28(36)25-11-6-3-7-12-25;1-17-13-24(37-42-17)30(41)36-23(15-27(39)38-12-6-9-26(38)19-7-4-3-5-8-19)29(40)34-18(2)28-33-16-25(35-28)21-11-10-20(31)14-22(21)32;1-19-16-24(35-40-19)30(39)34-23(17-27(37)36-15-9-14-26(36)22-12-7-4-8-13-22)29(38)32-20(2)28-31-18-25(33-28)21-10-5-3-6-11-21;1-21(30-31-20-25(32-30)17-23-9-4-3-5-10-23)16-27(35)26(19-29(37)34-13-7-6-8-22(34)2)33-28(36)18-24-11-14-38-15-12-24;1-16(26-29-15-23(30-26)19-9-4-5-10-20(19)28)12-24(34)21(31-27(36)22-13-18(3)37-32-22)14-25(35)33-11-7-6-8-17(33)2;1-16(26-29-15-23(30-26)19-7-9-20(28)10-8-19)12-24(34)21(31-27(36)22-13-18(3)37-32-22)14-25(35)33-11-5-4-6-17(33)2;2*1-17(26-28-16-23(29-26)20-10-5-4-6-11-20)13-24(33)21(30-27(35)22-14-19(3)36-31-22)15-25(34)32-12-8-7-9-18(32)2/h2-7,9-12,21-22,24,27-28H,8,13-20H2,1H3,(H,33,34)(H,35,38);3-5,7-8,10-11,13-14,16,18,23,26H,6,9,12,15H2,1-2H3,(H,33,35)(H,34,40)(H,36,41);3-8,10-13,16,18,20,23,26H,9,14-15,17H2,1-2H3,(H,31,33)(H,32,38)(H,34,39);3-5,9-10,20-22,24,26H,6-8,11-19H2,1-2H3,(H,31,32)(H,33,36);4-5,9-10,13,15-17,21H,6-8,11-12,14H2,1-3H3,(H,29,30)(H,31,36);7-10,13,15-17,21H,4-6,11-12,14H2,1-3H3,(H,29,30)(H,31,36);2*4-6,10-11,14,16-18,21H,7-9,12-13,15H2,1-3H3,(H,28,29)(H,30,35)/t22-,27+,28-;18-,23-,26+;20-,23-,26+;21-,22+,26+;2*16-,17+,21+;17-,18?,21+;17-,18+,21+/m10011111/s1.
What are the key properties of N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide?
N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 4168.95 g/mol, XLogP of 34.12, 77 rotatable bonds, 18 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(2S)-1-[[(1S)-1-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-(2-methylpiperidin-1-yl)-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(3S,6R)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxo-6-(5-phenyl-1H-imidazol-2-yl)heptan-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 161400882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).