2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C209H259BBr7F6N29O36S2 — CID 161408487

IUPAC2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N1CC(COC(F)F)C[C@H]1C(=O)O.CC(C)(C)OC(=O)N1C[C@@H](C#N)C[C@H]1c1ncc(-c2ccc3cc(Br)ccc3c2)[nH]1.CCC1C[C@@H](C(=O)OCC(=O)c2ccc(Br)cc2)N(C(=O)OC(C)(C)C)C1.CC[C@H]1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.CC[C@H]1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1.COC(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C1=NC=C(c2ccc(Br)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](COC(F)F)C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C.COC(=O)[C@@H]1CC(COC(F)F)CN1C(=O)OC(C)(C)C.Cc1c2ccsc2c(C)c2ccsc12.[C-]#[N+][C@H]1C[C@@H](c2ncc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.[C-]#[N+][C@H]1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C25H33BN4O4.C23H23BrN4O2.C22H27BrF2N4O4.C22H29BrN4O3.C21H24BrN3O4.C20H26BrN3O2.C20H26BrNO5.C19H21BrN4O2.C13H21F2NO5.C12H19F2NO5.C12H10S2/c1-23(2,3)32-22(31)30-15-18(27-8)13-20(30)21-28-14-19(29-21)16-9-11-17(12-10-16)26-33-24(4,5)25(6,7)34-26;1-23(2,3)30-22(29)28-13-14(11-25)8-20(28)21-26-12-19(27-21)17-5-4-16-10-18(24)7-6-15(16)9-17;1-12(2)18(28-22(31)32-3)20(30)29-10-13(11-33-21(24)25)8-17(29)19-26-9-16(27-19)14-4-6-15(23)7-5-14;1-5-14-10-18(20-24-11-17(25-20)15-6-8-16(23)9-7-15)27(12-14)21(28)19(13(2)3)26-22(29)30-4;1-12(2)19(24-21(28)29-3)20(27)25-11-16(26)9-18(25)17-8-14(10-23-17)13-4-6-15(22)7-5-13;1-5-13-10-17(24(12-13)19(25)26-20(2,3)4)18-22-11-16(23-18)14-6-8-15(21)9-7-14;1-5-13-10-16(22(11-13)19(25)27-20(2,3)4)18(24)26-12-17(23)14-6-8-15(21)9-7-14;1-19(2,3)26-18(25)24-11-14(21-4)9-16(24)17-22-10-15(23-17)12-5-7-13(20)8-6-12;1-13(2,3)21-12(18)16-6-8(7-20-11(14)15)5-9(16)10(17)19-4;1-12(2,3)20-11(18)15-5-7(6-19-10(13)14)4-8(15)9(16)17;1-7-9-3-5-14-12(9)8(2)10-4-6-13-11(7)10/h9-12,14,18,20H,13,15H2,1-7H3,(H,28,29);4-7,9-10,12,14,20H,8,13H2,1-3H3,(H,26,27);4-7,9,12-13,17-18,21H,8,10-11H2,1-3H3,(H,26,27)(H,28,31);6-9,11,13-14,18-19H,5,10,12H2,1-4H3,(H,24,25)(H,26,29);4-7,10,12,18-19H,8-9,11H2,1-3H3,(H,24,28);6-9,11,13,17H,5,10,12H2,1-4H3,(H,22,23);6-9,13,16H,5,10-12H2,1-4H3;5-8,10,14,16H,9,11H2,1-3H3,(H,22,23);8-9,11H,5-7H2,1-4H3;7-8,10H,4-6H2,1-3H3,(H,16,17);3-6H,1-2H3/t18-,20-;14-,20+;13-,17-,18-;14-,18-,19-;18-,19-;13-,17-;13?,16-;14-,16-;8?,9-;7?,8-;/m0100000000./s1
InChIKeyVVDVKQINEGVNEV-XWYIUBAASA-N
MW4501.80 g/mol
LogP45.47
Rot. Bonds42

About 2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 161408487) has the molecular formula C209H259BBr7F6N29O36S2 and a molecular weight of 4501.80 g/mol. Its IUPAC name is 2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID161408487
Molecular FormulaC209H259BBr7F6N29O36S2
Molecular Weight4501.80 g/mol
Exact Mass4492.30
IUPAC Name2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N1CC(COC(F)F)C[C@H]1C(=O)O.CC(C)(C)OC(=O)N1C[C@@H](C#N)C[C@H]1c1ncc(-c2ccc3cc(Br)ccc3c2)[nH]1.CCC1C[C@@H](C(=O)OCC(=O)c2ccc(Br)cc2)N(C(=O)OC(C)(C)C)C1.CC[C@H]1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.CC[C@H]1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1.COC(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C1=NC=C(c2ccc(Br)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](COC(F)F)C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C.COC(=O)[C@@H]1CC(COC(F)F)CN1C(=O)OC(C)(C)C.Cc1c2ccsc2c(C)c2ccsc12.[C-]#[N+][C@H]1C[C@@H](c2ncc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.[C-]#[N+][C@H]1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C25H33BN4O4.C23H23BrN4O2.C22H27BrF2N4O4.C22H29BrN4O3.C21H24BrN3O4.C20H26BrN3O2.C20H26BrNO5.C19H21BrN4O2.C13H21F2NO5.C12H19F2NO5.C12H10S2/c1-23(2,3)32-22(31)30-15-18(27-8)13-20(30)21-28-14-19(29-21)16-9-11-17(12-10-16)26-33-24(4,5)25(6,7)34-26;1-23(2,3)30-22(29)28-13-14(11-25)8-20(28)21-26-12-19(27-21)17-5-4-16-10-18(24)7-6-15(16)9-17;1-12(2)18(28-22(31)32-3)20(30)29-10-13(11-33-21(24)25)8-17(29)19-26-9-16(27-19)14-4-6-15(23)7-5-14;1-5-14-10-18(20-24-11-17(25-20)15-6-8-16(23)9-7-15)27(12-14)21(28)19(13(2)3)26-22(29)30-4;1-12(2)19(24-21(28)29-3)20(27)25-11-16(26)9-18(25)17-8-14(10-23-17)13-4-6-15(22)7-5-13;1-5-13-10-17(24(12-13)19(25)26-20(2,3)4)18-22-11-16(23-18)14-6-8-15(21)9-7-14;1-5-13-10-16(22(11-13)19(25)27-20(2,3)4)18(24)26-12-17(23)14-6-8-15(21)9-7-14;1-19(2,3)26-18(25)24-11-14(21-4)9-16(24)17-22-10-15(23-17)12-5-7-13(20)8-6-12;1-13(2,3)21-12(18)16-6-8(7-20-11(14)15)5-9(16)10(17)19-4;1-12(2,3)20-11(18)15-5-7(6-19-10(13)14)4-8(15)9(16)17;1-7-9-3-5-14-12(9)8(2)10-4-6-13-11(7)10/h9-12,14,18,20H,13,15H2,1-7H3,(H,28,29);4-7,9-10,12,14,20H,8,13H2,1-3H3,(H,26,27);4-7,9,12-13,17-18,21H,8,10-11H2,1-3H3,(H,26,27)(H,28,31);6-9,11,13-14,18-19H,5,10,12H2,1-4H3,(H,24,25)(H,26,29);4-7,10,12,18-19H,8-9,11H2,1-3H3,(H,24,28);6-9,11,13,17H,5,10,12H2,1-4H3,(H,22,23);6-9,13,16H,5,10-12H2,1-4H3;5-8,10,14,16H,9,11H2,1-3H3,(H,22,23);8-9,11H,5-7H2,1-4H3;7-8,10H,4-6H2,1-3H3,(H,16,17);3-6H,1-2H3/t18-,20-;14-,20+;13-,17-,18-;14-,18-,19-;18-,19-;13-,17-;13?,16-;14-,16-;8?,9-;7?,8-;/m0100000000./s1
InChIKeyVVDVKQINEGVNEV-XWYIUBAASA-N
XLogP45.47
TPSA769.84 Ų
H-Bond Donors10
H-Bond Acceptors45
Rotatable Bonds42
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004501.80
LogP ≤ 545.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1045

Analyze 2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 158964275
acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 157352389
methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-isocyano-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(6S)-6-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]butan-2-yl]carbamate
CID 158766832
acetic acid;azane;1-(4-bromophenyl)-2-(chloroamino)ethanone;tert-butyl (2S,4R)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4R)-2-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-4-isocyanopyrrolidine-1-carboxylate;(2S,4R)-4-isocyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,4R)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-fluoro-4-isocyano-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 161330987
tert-butyl (2S)-2-[5-[4,8-dimethyl-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[8-hydroxy-4-methoxy-2-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[6-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-1,3-thiazolidine-3-carboxylate;tert-butyl 4-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-4-oxobutanoate;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 161487889
CID 158639529
CID 158639529
benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,5R)-3-[4-[4-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;benzyl (1R,3S,5R)-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;bis((2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid);methyl N-[(2S)-1-[(1R,3S,5R)-3-[5-[6-[4-[2-[(1R,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,5R)-3-[5-[4-[6-[2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 159930237
tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate
CID 157352390
acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 161006660
5-(6-bromonaphthalen-2-yl)-2-cyclopentyl-1H-imidazole;1-(4-bromophenyl)-2-chloroethanone;tert-butyl (6S)-6-[4-(4-bromophenyl)-1H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(6S)-6-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(1R)-2-[(2S)-2-[5-[6-[4-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 161100982
methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-cyanopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59610656
tert-butyl N-[2-(4-bromophenyl)-2-oxoethyl]carbamate;tert-butyl N-[2-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-oxoethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 160958438

Frequently Asked Questions

What is the IUPAC name of 2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of 2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 161408487) is 2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for 2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for 2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)(C)OC(=O)N1CC(COC(F)F)C[C@H]1C(=O)O.CC(C)(C)OC(=O)N1C[C@@H](C#N)C[C@H]1c1ncc(-c2ccc3cc(Br)ccc3c2)[nH]1.CCC1C[C@@H](C(=O)OCC(=O)c2ccc(Br)cc2)N(C(=O)OC(C)(C)C)C1.CC[C@H]1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.CC[C@H]1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1.COC(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C1=NC=C(c2ccc(Br)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](COC(F)F)C[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C.COC(=O)[C@@H]1CC(COC(F)F)CN1C(=O)OC(C)(C)C.Cc1c2ccsc2c(C)c2ccsc12.[C-]#[N+][C@H]1C[C@@H](c2ncc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.[C-]#[N+][C@H]1C[C@@H](c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is VVDVKQINEGVNEV-XWYIUBAASA-N. The full InChI is InChI=1S/C25H33BN4O4.C23H23BrN4O2.C22H27BrF2N4O4.C22H29BrN4O3.C21H24BrN3O4.C20H26BrN3O2.C20H26BrNO5.C19H21BrN4O2.C13H21F2NO5.C12H19F2NO5.C12H10S2/c1-23(2,3)32-22(31)30-15-18(27-8)13-20(30)21-28-14-19(29-21)16-9-11-17(12-10-16)26-33-24(4,5)25(6,7)34-26;1-23(2,3)30-22(29)28-13-14(11-25)8-20(28)21-26-12-19(27-21)17-5-4-16-10-18(24)7-6-15(16)9-17;1-12(2)18(28-22(31)32-3)20(30)29-10-13(11-33-21(24)25)8-17(29)19-26-9-16(27-19)14-4-6-15(23)7-5-14;1-5-14-10-18(20-24-11-17(25-20)15-6-8-16(23)9-7-15)27(12-14)21(28)19(13(2)3)26-22(29)30-4;1-12(2)19(24-21(28)29-3)20(27)25-11-16(26)9-18(25)17-8-14(10-23-17)13-4-6-15(22)7-5-13;1-5-13-10-17(24(12-13)19(25)26-20(2,3)4)18-22-11-16(23-18)14-6-8-15(21)9-7-14;1-5-13-10-16(22(11-13)19(25)27-20(2,3)4)18(24)26-12-17(23)14-6-8-15(21)9-7-14;1-19(2,3)26-18(25)24-11-14(21-4)9-16(24)17-22-10-15(23-17)12-5-7-13(20)8-6-12;1-13(2,3)21-12(18)16-6-8(7-20-11(14)15)5-9(16)10(17)19-4;1-12(2,3)20-11(18)15-5-7(6-19-10(13)14)4-8(15)9(16)17;1-7-9-3-5-14-12(9)8(2)10-4-6-13-11(7)10/h9-12,14,18,20H,13,15H2,1-7H3,(H,28,29);4-7,9-10,12,14,20H,8,13H2,1-3H3,(H,26,27);4-7,9,12-13,17-18,21H,8,10-11H2,1-3H3,(H,26,27)(H,28,31);6-9,11,13-14,18-19H,5,10,12H2,1-4H3,(H,24,25)(H,26,29);4-7,10,12,18-19H,8-9,11H2,1-3H3,(H,24,28);6-9,11,13,17H,5,10,12H2,1-4H3,(H,22,23);6-9,13,16H,5,10-12H2,1-4H3;5-8,10,14,16H,9,11H2,1-3H3,(H,22,23);8-9,11H,5-7H2,1-4H3;7-8,10H,4-6H2,1-3H3,(H,16,17);3-6H,1-2H3/t18-,20-;14-,20+;13-,17-,18-;14-,18-,19-;18-,19-;13-,17-;13?,16-;14-,16-;8?,9-;7?,8-;/m0100000000./s1.
What are the key properties of 2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?
2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 4501.80 g/mol, XLogP of 45.47, 42 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-ethylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-4-cyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-isocyanopyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-isocyano-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-1,2-dicarboxylate;(2S)-4-(difluoromethoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,8-dimethylthieno[2,3-f][1]benzothiole;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(difluoromethoxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-ethylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-oxopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 161408487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).