C141H174Cl5N25O17 — CID 158688322
(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(morpholine-4-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(pyrrolidine-1-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(morpholine-4-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxo-N-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 158688322) has the molecular formula C141H174Cl5N25O17 and a molecular weight of 2668.37 g/mol. Its IUPAC name is (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(morpholine-4-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(pyrrolidine-1-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(morpholine-4-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxo-N-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyrrolidine-2-carboxamide.
| Compound Name | (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(morpholine-4-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(pyrrolidine-1-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(morpholine-4-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxo-N-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyrrolidine-2-carboxamide |
|---|---|
| PubChem CID | 158688322 |
| Molecular Formula | C141H174Cl5N25O17 |
| Molecular Weight | 2668.37 g/mol |
| Exact Mass | 2664.20 |
| IUPAC Name | (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(morpholine-4-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(pyrrolidine-1-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(morpholine-4-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxo-N-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyrrolidine-2-carboxamide |
| SMILES | Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(C(=O)N2CCCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(C(=O)N2CCOCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N4CCCC4)ccn3)CC2)ccc1Cl.Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N4CCOCC4)ccn3)CC2)ccc1Cl |
| InChI | InChI=1S/C29H36ClN5O4.C29H36ClN5O3.C28H34ClN5O4.C28H34ClN5O3.C27H34ClN5O3/c1-19-15-21(3-4-24(19)30)18-33-9-7-23(8-10-33)35-25(5-6-27(35)36)28(37)32-26-17-22(16-20(2)31-26)29(38)34-11-13-39-14-12-34;1-19-15-21(5-6-24(19)30)18-33-13-9-23(10-14-33)35-25(7-8-27(35)36)28(37)32-26-17-22(16-20(2)31-26)29(38)34-11-3-4-12-34;1-19-16-20(2-3-23(19)29)18-32-10-7-22(8-11-32)34-24(4-5-26(34)35)27(36)31-25-17-21(6-9-30-25)28(37)33-12-14-38-15-13-33;1-19-16-20(4-5-23(19)29)18-32-14-9-22(10-15-32)34-24(6-7-26(34)35)27(36)31-25-17-21(8-11-30-25)28(37)33-12-2-3-13-33;1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h3-4,15-17,23,25H,5-14,18H2,1-2H3,(H,31,32,37);5-6,15-17,23,25H,3-4,7-14,18H2,1-2H3,(H,31,32,37);2-3,6,9,16-17,22,24H,4-5,7-8,10-15,18H2,1H3,(H,30,31,36);4-5,8,11,16-17,22,24H,2-3,6-7,9-10,12-15,18H2,1H3,(H,30,31,36);5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t2*25-;2*24-;23-/m11111/s1 |
| InChIKey | IGAGVZCOCRNVHE-RGRULLKISA-N |
| XLogP | 18.23 |
| TPSA | 447.71 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2668.37 |
| LogP ≤ 5 | 18.23 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 27 |