C117H149F3N14O13 — CID 157080571
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-propan-2-ylphenyl)indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]-6-propan-2-yloxyindole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 157080571) has the molecular formula C117H149F3N14O13 and a molecular weight of 2016.56 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-propan-2-ylphenyl)indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]-6-propan-2-yloxyindole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide.
| Compound Name | 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-propan-2-ylphenyl)indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]-6-propan-2-yloxyindole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide |
|---|---|
| PubChem CID | 157080571 |
| Molecular Formula | C117H149F3N14O13 |
| Molecular Weight | 2016.56 g/mol |
| Exact Mass | 2015.14 |
| IUPAC Name | 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-propan-2-ylphenyl)indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]-6-propan-2-yloxyindole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide |
| SMILES | COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@@H](C)C2CCN(CC(F)(F)F)CC2)c2cc(OC(C)C)ccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@@H](C)C2CCOCC2)c2cc(OC(C)C)ccc12.Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)C3CCN(C(C)C)CC3)c3ccccc23)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C(C)C)cc3)cc3c2ccn3C2CCCC2)c(=O)[nH]1 |
| InChI | InChI=1S/C31H35N3O2.C30H39F3N4O4.C28H38N4O2.C28H37N3O5/c1-19(2)22-9-11-23(12-10-22)24-16-27(26-13-14-34(29(26)17-24)25-7-5-6-8-25)30(35)32-18-28-20(3)15-21(4)33-31(28)36;1-17(2)41-22-7-8-23-25(14-22)37(19(4)21-9-11-36(12-10-21)16-30(31,32)33)20(5)27(23)29(39)34-15-24-26(40-6)13-18(3)35-28(24)38;1-17(2)31-13-11-22(12-14-31)20(5)32-21(6)26(23-9-7-8-10-25(23)32)28(34)29-16-24-18(3)15-19(4)30-27(24)33;1-16(2)36-21-7-8-22-24(14-21)31(18(4)20-9-11-35-12-10-20)19(5)26(22)28(33)29-15-23-25(34-6)13-17(3)30-27(23)32/h9-17,19,25H,5-8,18H2,1-4H3,(H,32,35)(H,33,36);7-8,13-14,17,19,21H,9-12,15-16H2,1-6H3,(H,34,39)(H,35,38);7-10,15,17,20,22H,11-14,16H2,1-6H3,(H,29,34)(H,30,33);7-8,13-14,16,18,20H,9-12,15H2,1-6H3,(H,29,33)(H,30,32)/t;19-;;18-/m.0.0/s1 |
| InChIKey | ADMMDNQBLLTAOB-QDHOSEQBSA-N |
| XLogP | 21.82 |
| TPSA | 320.19 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2016.56 |
| LogP ≤ 5 | 21.82 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 19 |