C117H142FN23O12 — CID 158471158
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-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-(1H-pyrazol-5-yl)indolizine-7-carboxamide (PubChem CID 158471158) has the molecular formula C117H142FN23O12 and a molecular weight of 2081.57 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-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-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-(1H-pyrazol-5-yl)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-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-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-(1H-pyrazol-5-yl)indolizine-7-carboxamide |
|---|---|
| PubChem CID | 158471158 |
| Molecular Formula | C117H142FN23O12 |
| Molecular Weight | 2081.57 g/mol |
| Exact Mass | 2080.12 |
| 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-methylpyrazol-3-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-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-(1H-pyrazol-5-yl)indolizine-7-carboxamide |
| SMILES | COc1ccc(F)c(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)c1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCC(N(C)C)CC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn[nH]4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1 |
| InChI | InChI=1S/C31H35FN4O4.C31H41N7O2.C28H34N6O3.C27H32N6O3/c1-18-12-19(2)34-31(38)27(18)16-33-30(37)25-14-23-13-22(26-15-24(39-5)6-7-28(26)32)17-36(23)29(20(25)3)21(4)35-8-10-40-11-9-35;1-19-14-20(2)33-31(40)27(19)17-32-30(39)26-16-25-15-23(28-10-11-36(7)34-28)18-38(25)29(21(26)3)22(4)37-12-8-24(9-13-37)35(5)6;1-17-12-18(2)30-28(36)24(17)15-29-27(35)23-14-22-13-21(25-6-7-32(5)31-25)16-34(22)26(19(23)3)20(4)33-8-10-37-11-9-33;1-16-11-17(2)30-27(35)23(16)14-28-26(34)22-13-21-12-20(24-5-6-29-31-24)15-33(21)25(18(22)3)19(4)32-7-9-36-10-8-32/h6-7,12-15,17,21H,8-11,16H2,1-5H3,(H,33,37)(H,34,38);10-11,14-16,18,22,24H,8-9,12-13,17H2,1-7H3,(H,32,39)(H,33,40);6-7,12-14,16,20H,8-11,15H2,1-5H3,(H,29,35)(H,30,36);5-6,11-13,15,19H,7-10,14H2,1-4H3,(H,28,34)(H,29,31)(H,30,35) |
| InChIKey | HGJCKLNGFOUSQN-UHFFFAOYSA-N |
| XLogP | 15.20 |
| TPSA | 382.92 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2081.57 |
| LogP ≤ 5 | 15.20 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 26 |