C159H179Cl2FN32O15 — CID 167695740
4-[(2,4-dichlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylpyrazol-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpiperidine-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 167695740) has the molecular formula C159H179Cl2FN32O15 and a molecular weight of 2868.29 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylpyrazol-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpiperidine-2-carbonyl)pyrrolidine-2-carboxamide.
| Compound Name | 4-[(2,4-dichlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylpyrazol-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpiperidine-2-carbonyl)pyrrolidine-2-carboxamide |
|---|---|
| PubChem CID | 167695740 |
| Molecular Formula | C159H179Cl2FN32O15 |
| Molecular Weight | 2868.29 g/mol |
| Exact Mass | 2865.36 |
| IUPAC Name | 4-[(2,4-dichlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylpyrazol-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpiperidine-2-carbonyl)pyrrolidine-2-carboxamide |
| SMILES | COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CCN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4OC)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccnn4C)CN3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(Cl)cc4Cl)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21 |
| InChI | InChI=1S/C33H38N6O4.C33H38N6O3.C32H35FN6O3.C31H32Cl2N6O2.C30H36N8O3/c1-38-29-13-10-22(15-27(29)36-37-38)18-35-32(40)30-16-23(14-21-8-11-25(42-2)12-9-21)20-39(30)33(41)28-17-24(19-34-28)26-6-4-5-7-31(26)43-3;1-38-30-13-10-23(17-28(30)36-37-38)20-35-32(40)31-18-24(16-22-8-11-27(42-2)12-9-22)21-39(31)33(41)29-19-26(14-15-34-29)25-6-4-3-5-7-25;1-38-29-12-9-21(14-27(29)36-37-38)17-35-31(40)30-15-22(13-20-7-10-24(42-2)11-8-20)19-39(30)32(41)28-16-23(18-34-28)25-5-3-4-6-26(25)33;1-38-28-10-7-19(12-26(28)36-37-38)16-35-30(40)29-13-20(11-22-8-9-24(32)15-25(22)33)18-39(29)31(41)27-14-23(17-34-27)21-5-3-2-4-6-21;1-36-26(10-11-33-36)22-15-25(31-17-22)30(40)38-18-21(12-19-4-7-23(41-3)8-5-19)14-28(38)29(39)32-16-20-6-9-27-24(13-20)34-35-37(27)2/h4-13,15,23-24,28,30,34H,14,16-20H2,1-3H3,(H,35,40);3-13,17,24,26,29,31,34H,14-16,18-21H2,1-2H3,(H,35,40);3-12,14,22-23,28,30,34H,13,15-19H2,1-2H3,(H,35,40);2-10,12,15,20,23,27,29,34H,11,13-14,16-18H2,1H3,(H,35,40);4-11,13,21-22,25,28,31H,12,14-18H2,1-3H3,(H,32,39) |
| InChIKey | XQBJDYDEQGHGAJ-UHFFFAOYSA-N |
| XLogP | 16.56 |
| TPSA | 524.72 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 209 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2868.29 |
| LogP ≤ 5 | 16.56 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 37 |