C127H157N21O10 — CID 158686903
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxamide (PubChem CID 158686903) has the molecular formula C127H157N21O10 and a molecular weight of 2137.79 g/mol. Its IUPAC name is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxamide.
| Compound Name | 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxamide |
|---|---|
| PubChem CID | 158686903 |
| Molecular Formula | C127H157N21O10 |
| Molecular Weight | 2137.79 g/mol |
| Exact Mass | 2136.24 |
| IUPAC Name | 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methylpyrazol-3-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxamide |
| SMILES | COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccccc3)ccn2c(C(C)N2CCC(N(C)C)CC2)c1C.Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccccc4)ccn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccccc4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccnn4C)ccn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1 |
| InChI | InChI=1S/C33H41N5O3.C33H41N5O2.C31H41N7O2.C30H34N4O3/c1-21-18-30(41-6)28(33(40)35-21)20-34-32(39)27-19-29-26(24-10-8-7-9-11-24)14-17-38(29)31(22(27)2)23(3)37-15-12-25(13-16-37)36(4)5;1-21-18-22(2)35-33(40)29(21)20-34-32(39)28-19-30-27(25-10-8-7-9-11-25)14-17-38(30)31(23(28)3)24(4)37-15-12-26(13-16-37)36(5)6;1-19-16-20(2)34-31(40)26(19)18-32-30(39)25-17-28-24(27-8-12-33-36(27)7)11-15-38(28)29(21(25)3)22(4)37-13-9-23(10-14-37)35(5)6;1-19-16-20(2)32-30(36)26(19)18-31-29(35)25-17-27-24(23-8-6-5-7-9-23)10-11-34(27)28(21(25)3)22(4)33-12-14-37-15-13-33/h7-11,14,17-19,23,25H,12-13,15-16,20H2,1-6H3,(H,34,39)(H,35,40);7-11,14,17-19,24,26H,12-13,15-16,20H2,1-6H3,(H,34,39)(H,35,40);8,11-12,15-17,22-23H,9-10,13-14,18H2,1-7H3,(H,32,39)(H,34,40);5-11,16-17,22H,12-15,18H2,1-4H3,(H,31,35)(H,32,36) |
| InChIKey | IFVXBYNLHLSPMZ-UHFFFAOYSA-N |
| XLogP | 18.69 |
| TPSA | 324.44 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 158 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2137.79 |
| LogP ≤ 5 | 18.69 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 23 |