C103H119N15O15 — CID 160722972
tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide (PubChem CID 160722972) has the molecular formula C103H119N15O15 and a molecular weight of 1807.17 g/mol. Its IUPAC name is tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide.
| Compound Name | tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide |
|---|---|
| PubChem CID | 160722972 |
| Molecular Formula | C103H119N15O15 |
| Molecular Weight | 1807.17 g/mol |
| Exact Mass | 1805.90 |
| IUPAC Name | tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide |
| SMILES | COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(-c2cccc3ncccc23)c2ccccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(=O)CC(C)C)c2ccccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCNCC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12 |
| InChI | InChI=1S/C28H36N4O5.C27H24N4O3.C25H32N4O3.C23H27N3O4/c1-17-15-23(36-6)21(25(33)30-17)16-29-26(34)24-18(2)32(22-10-8-7-9-20(22)24)19-11-13-31(14-12-19)27(35)37-28(3,4)5;1-16-14-24(34-3)20(26(32)30-16)15-29-27(33)25-17(2)31(23-11-5-4-8-19(23)25)22-12-6-10-21-18(22)9-7-13-28-21;1-15-13-22(32-4)20(24(30)28-15)14-27-25(31)23-17(3)29(21-8-6-5-7-19(21)23)16(2)18-9-11-26-12-10-18;1-13(2)10-20(27)26-15(4)21(16-8-6-7-9-18(16)26)23(29)24-12-17-19(30-5)11-14(3)25-22(17)28/h7-10,15,19H,11-14,16H2,1-6H3,(H,29,34)(H,30,33);4-14H,15H2,1-3H3,(H,29,33)(H,30,32);5-8,13,16,18,26H,9-12,14H2,1-4H3,(H,27,31)(H,28,30);6-9,11,13H,10,12H2,1-5H3,(H,24,29)(H,25,28) |
| InChIKey | RTINWHIEKZWSPT-UHFFFAOYSA-N |
| XLogP | 15.90 |
| TPSA | 376.01 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 133 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1807.17 |
| LogP ≤ 5 | 15.90 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 21 |