C150H180F4N16O27 — CID 163916503
2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclohexyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclohexyl)-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[3-oxo-1-(2-oxocyclohexyl)pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[3-oxo-1-(2-oxocyclohexyl)-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide;6-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163916503) has the molecular formula C150H180F4N16O27 and a molecular weight of 2715.17 g/mol. Its IUPAC name is 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclohexyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclohexyl)-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[3-oxo-1-(2-oxocyclohexyl)pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[3-oxo-1-(2-oxocyclohexyl)-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide;6-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide.
| Compound Name | 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclohexyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclohexyl)-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[3-oxo-1-(2-oxocyclohexyl)pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[3-oxo-1-(2-oxocyclohexyl)-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide;6-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide |
|---|---|
| PubChem CID | 163916503 |
| Molecular Formula | C150H180F4N16O27 |
| Molecular Weight | 2715.17 g/mol |
| Exact Mass | 2713.31 |
| IUPAC Name | 2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclohexyl)pentan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclohexyl)-4-phenylmethoxybutan-2-yl]-5-azaspiro[2.4]heptane-6-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[3-oxo-1-(2-oxocyclohexyl)pentan-2-yl]pyrrolidine-2-carboxamide;1-(4-methoxy-1H-indole-2-carbonyl)-4-methyl-N-[3-oxo-1-(2-oxocyclohexyl)-4-phenylmethoxybutan-2-yl]pyrrolidine-2-carboxamide;6-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide |
| SMILES | CCC(=O)C(CC1CCCCC1=O)NC(=O)C1CC(C)CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)C(CC1CCCCC1=O)NC(=O)C1CC2(CN1C(=O)c1cc3c(OC)cccc3[nH]1)CC2(F)F.CCC(=O)C(CC1CCCNC1=O)NC(=O)C1CC2(CCN1C(=O)c1cc3c(OC)cccc3[nH]1)CC2.COc1cccc2[nH]c(C(=O)N3CC(C)CC3C(=O)NC(CC3CCCCC3=O)C(=O)COCc3ccccc3)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCCC3=O)C(=O)COCc3ccccc3)CC4(F)F)cc12 |
| InChI | InChI=1S/C34H37F2N3O6.C33H39N3O6.C28H33F2N3O5.C28H36N4O5.C27H35N3O5/c1-44-30-13-7-11-24-23(30)15-26(37-24)32(43)39-20-33(19-34(33,35)36)16-27(39)31(42)38-25(14-22-10-5-6-12-28(22)40)29(41)18-45-17-21-8-3-2-4-9-21;1-21-15-28(36(18-21)33(40)27-17-24-25(34-27)12-8-14-31(24)41-2)32(39)35-26(16-23-11-6-7-13-29(23)37)30(38)20-42-19-22-9-4-3-5-10-22;1-3-22(34)19(11-16-7-4-5-9-23(16)35)32-25(36)21-13-27(14-28(27,29)30)15-33(21)26(37)20-12-17-18(31-20)8-6-10-24(17)38-2;1-3-23(33)20(14-17-6-5-12-29-25(17)34)31-26(35)22-16-28(9-10-28)11-13-32(22)27(36)21-15-18-19(30-21)7-4-8-24(18)37-2;1-4-23(31)20(13-17-8-5-6-10-24(17)32)29-26(33)22-12-16(2)15-30(22)27(34)21-14-18-19(28-21)9-7-11-25(18)35-3/h2-4,7-9,11,13,15,22,25,27,37H,5-6,10,12,14,16-20H2,1H3,(H,38,42);3-5,8-10,12,14,17,21,23,26,28,34H,6-7,11,13,15-16,18-20H2,1-2H3,(H,35,39);6,8,10,12,16,19,21,31H,3-5,7,9,11,13-15H2,1-2H3,(H,32,36);4,7-8,15,17,20,22,30H,3,5-6,9-14,16H2,1-2H3,(H,29,34)(H,31,35);7,9,11,14,16-17,20,22,28H,4-6,8,10,12-13,15H2,1-3H3,(H,29,33) |
| InChIKey | QWSGCDJCMVCKKK-UHFFFAOYSA-N |
| XLogP | 19.90 |
| TPSA | 573.34 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 197 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2715.17 |
| LogP ≤ 5 | 19.90 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 27 |