C122H152N24O12 — CID 158016820
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(1-ethylimidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxamide (PubChem CID 158016820) has the molecular formula C122H152N24O12 and a molecular weight of 2146.71 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-2-(1-methylimidazol-2-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(1-ethylimidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-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-2-(1-methylimidazol-2-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(1-ethylimidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxamide |
|---|---|
| PubChem CID | 158016820 |
| Molecular Formula | C122H152N24O12 |
| Molecular Weight | 2146.71 g/mol |
| Exact Mass | 2145.20 |
| IUPAC Name | 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(1-ethylimidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(1H-imidazol-2-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxamide |
| SMILES | CCn1ccnc1-c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cccc(CN5CCOCC5)c4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ncc[nH]4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nccn4C)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1 |
| InChI | InChI=1S/C35H43N5O4.C31H41N7O2.C29H36N6O3.C27H32N6O3/c1-23-16-24(2)37-35(42)32(23)20-36-34(41)31-19-30-18-29(28-7-5-6-27(17-28)21-38-8-12-43-13-9-38)22-40(30)33(25(31)3)26(4)39-10-14-44-15-11-39;1-19-14-20(2)34-31(40)27(19)17-33-30(39)26-16-25-15-23(29-32-10-13-36(29)7)18-38(25)28(21(26)3)22(4)37-11-8-24(9-12-37)35(5)6;1-6-33-8-7-30-27(33)22-14-23-15-24(28(36)31-16-25-18(2)13-19(3)32-29(25)37)20(4)26(35(23)17-22)21(5)34-9-11-38-12-10-34;1-16-11-17(2)31-27(35)23(16)14-30-26(34)22-13-21-12-20(25-28-5-6-29-25)15-33(21)24(18(22)3)19(4)32-7-9-36-10-8-32/h5-7,16-19,22,26H,8-15,20-21H2,1-4H3,(H,36,41)(H,37,42);10,13-16,18,22,24H,8-9,11-12,17H2,1-7H3,(H,33,39)(H,34,40);7-8,13-15,17,21H,6,9-12,16H2,1-5H3,(H,31,36)(H,32,37);5-6,11-13,15,19H,7-10,14H2,1-4H3,(H,28,29)(H,30,34)(H,31,35) |
| InChIKey | FFOOXDALALBCRF-UHFFFAOYSA-N |
| XLogP | 15.37 |
| TPSA | 386.16 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 158 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2146.71 |
| LogP ≤ 5 | 15.37 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 27 |