4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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

C192H244B2Br6F2N28O35Si — CID 159596632

About 4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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

4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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 (PubChem CID 159596632) has the molecular formula C192H244B2Br6F2N28O35Si and a molecular weight of 4071.35 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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.

Molecular Properties

• Compound Name: 4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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
• PubChem CID: 159596632
• Molecular Formula: C192H244B2Br6F2N28O35Si
• Molecular Weight: 4071.35 g/mol
• Exact Mass: 4063.32
• IUPAC Name: 4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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
• SMILES: Brc1ccc(C2=CN=C([C@@H]3C[C@H](Oc4cnccn4)CN3)C2)cc1.CC(C)(C)OC(=O)N1C[C@@H](OC(F)F)C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1.CC(C)(C)OC(=O)N1C[C@@H](Oc2cnccn2)C[C@H]1c1nc(-c2ccc(Br)cc2)cn1COCC[Si](C)(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](Oc2cnccn2)C[C@H]1C1=NC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](Oc2cnccn2)C[C@H]1C1CC(c2ccc(Br)cc2)=CN1)C(C)C.COCCO[C@@H]1CN[C@H](C2=NC=C(c3ccc(Br)cc3)C2)C1.COCCO[C@H]1C[C@@H](C2=NC=C(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C2)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1.COCCO[C@H]1C[C@@H](C2=NC=C(c3ccc(Br)cc3)C2)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1
• InChI: InChI=1S/C31H40BN5O6.C30H44BN3O7.C28H38BrN5O4Si.C25H30BrN5O4.C24H32BrN3O5.C19H22BrF2NO6.C18H17BrN4O.C17H21BrN2O2/c1-19(2)27(36-29(39)40-7)28(38)37-18-23(41-26-17-33-12-13-34-26)15-25(37)24-14-21(16-35-24)20-8-10-22(11-9-20)32-42-30(3,4)31(5,6)43-32;1-19(2)26(33-28(36)38-8)27(35)34-18-23(39-14-13-37-7)16-25(34)24-15-21(17-32-24)20-9-11-22(12-10-20)31-40-29(3,4)30(5,6)41-31;1-28(2,3)38-27(35)34-17-22(37-25-16-30-11-12-31-25)15-24(34)26-32-23(20-7-9-21(29)10-8-20)18-33(26)19-36-13-14-39(4,5)6;1-15(2)23(30-25(33)34-3)24(32)31-14-19(35-22-13-27-8-9-28-22)11-21(31)20-10-17(12-29-20)16-4-6-18(26)7-5-16;1-15(2)22(27-24(30)32-4)23(29)28-14-19(33-10-9-31-3)12-21(28)20-11-17(13-26-20)16-5-7-18(25)8-6-16;1-19(2,3)29-18(26)23-9-13(28-17(21)22)8-14(23)16(25)27-10-15(24)11-4-6-12(20)7-5-11;19-14-3-1-12(2-4-14)13-7-16(22-9-13)17-8-15(10-23-17)24-18-11-20-5-6-21-18;1-21-6-7-22-15-9-17(20-11-15)16-8-13(10-19-16)12-2-4-14(18)5-3-12/h8-13,16-17,19,23,25,27H,14-15,18H2,1-7H3,(H,36,39);9-12,17,19,23,25-26H,13-16,18H2,1-8H3,(H,33,36);7-12,16,18,22,24H,13-15,17,19H2,1-6H3;4-9,12-13,15,19-21,23,29H,10-11,14H2,1-3H3,(H,30,33);5-8,13,15,19,21-22H,9-12,14H2,1-4H3,(H,27,30);4-7,13-14,17H,8-10H2,1-3H3;1-6,9,11,15,17,23H,7-8,10H2;2-5,10,15,17,20H,6-9,11H2,1H3/t23-,25-,27-;23-,25-,26-;22-,24-;19-,20?,21-,23-;19-,21-,22-;13-,14-;2*15-,17-/m00000000/s1
• InChIKey: MKXWQYQNWDNDFN-XDWDKEAKSA-N
• XLogP: 30.19
• TPSA: 703.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 53
• Rotatable Bonds: 59
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4071.35
LogP ≤ 5	30.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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?

The IUPAC name of 4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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 159596632) is 4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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.

What is the SMILES notation for 4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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?

The canonical SMILES for 4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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 is Brc1ccc(C2=CN=C([C@@H]3C[C@H](Oc4cnccn4)CN3)C2)cc1.CC(C)(C)OC(=O)N1C[C@@H](OC(F)F)C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1.CC(C)(C)OC(=O)N1C[C@@H](Oc2cnccn2)C[C@H]1c1nc(-c2ccc(Br)cc2)cn1COCC[Si](C)(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](Oc2cnccn2)C[C@H]1C1=NC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1)C(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](Oc2cnccn2)C[C@H]1C1CC(c2ccc(Br)cc2)=CN1)C(C)C.COCCO[C@@H]1CN[C@H](C2=NC=C(c3ccc(Br)cc3)C2)C1.COCCO[C@H]1C[C@@H](C2=NC=C(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)C2)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1.COCCO[C@H]1C[C@@H](C2=NC=C(c3ccc(Br)cc3)C2)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1.

What is the InChIKey of 4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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?

The InChIKey is MKXWQYQNWDNDFN-XDWDKEAKSA-N. The full InChI is InChI=1S/C31H40BN5O6.C30H44BN3O7.C28H38BrN5O4Si.C25H30BrN5O4.C24H32BrN3O5.C19H22BrF2NO6.C18H17BrN4O.C17H21BrN2O2/c1-19(2)27(36-29(39)40-7)28(38)37-18-23(41-26-17-33-12-13-34-26)15-25(37)24-14-21(16-35-24)20-8-10-22(11-9-20)32-42-30(3,4)31(5,6)43-32;1-19(2)26(33-28(36)38-8)27(35)34-18-23(39-14-13-37-7)16-25(34)24-15-21(17-32-24)20-9-11-22(12-10-20)31-40-29(3,4)30(5,6)41-31;1-28(2,3)38-27(35)34-17-22(37-25-16-30-11-12-31-25)15-24(34)26-32-23(20-7-9-21(29)10-8-20)18-33(26)19-36-13-14-39(4,5)6;1-15(2)23(30-25(33)34-3)24(32)31-14-19(35-22-13-27-8-9-28-22)11-21(31)20-10-17(12-29-20)16-4-6-18(26)7-5-16;1-15(2)22(27-24(30)32-4)23(29)28-14-19(33-10-9-31-3)12-21(28)20-11-17(13-26-20)16-5-7-18(25)8-6-16;1-19(2,3)29-18(26)23-9-13(28-17(21)22)8-14(23)16(25)27-10-15(24)11-4-6-12(20)7-5-11;19-14-3-1-12(2-4-14)13-7-16(22-9-13)17-8-15(10-23-17)24-18-11-20-5-6-21-18;1-21-6-7-22-15-9-17(20-11-15)16-8-13(10-19-16)12-2-4-14(18)5-3-12/h8-13,16-17,19,23,25,27H,14-15,18H2,1-7H3,(H,36,39);9-12,17,19,23,25-26H,13-16,18H2,1-8H3,(H,33,36);7-12,16,18,22,24H,13-15,17,19H2,1-6H3;4-9,12-13,15,19-21,23,29H,10-11,14H2,1-3H3,(H,30,33);5-8,13,15,19,21-22H,9-12,14H2,1-4H3,(H,27,30);4-7,13-14,17H,8-10H2,1-3H3;1-6,9,11,15,17,23H,7-8,10H2;2-5,10,15,17,20H,6-9,11H2,1H3/t23-,25-,27-;23-,25-,26-;22-,24-;19-,20?,21-,23-;19-,21-,22-;13-,14-;2*15-,17-/m00000000/s1.

What are the key properties of 4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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?

4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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 has a molecular weight of 4071.35 g/mol, XLogP of 30.19, 59 rotatable bonds, 7 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromophenyl)-2-[(2S,4S)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-3H-pyrrole;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S,4S)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate;2-[(3S,5S)-5-[4-(4-bromophenyl)-3H-pyrrol-2-yl]pyrrolidin-3-yl]oxypyrazine;tert-butyl (2S,4S)-2-[4-(4-bromophenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyrazin-2-yloxypyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-2,3-dihydro-1H-pyrrol-2-yl]-4-pyrazin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-4-(2-methoxyethoxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(2S,4S)-4-(2-methoxyethoxy)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S,4S)-4-pyrazin-2-yloxy-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 is sourced from PubChem (CID 159596632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).