C166H173Cl2F4N15O10 — CID 158892693
2-[4-[2-chloro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone;2-[4-[2-chloro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(1H-pyrrol-3-yl)ethanone;2-[4-[2-fluoro-4-[2-[4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(1H-pyrrol-3-yl)ethanone;2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(4-methyl-1H-pyrrol-3-yl)ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1,4,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;methane (PubChem CID 158892693) has the molecular formula C166H173Cl2F4N15O10 and a molecular weight of 2685.20 g/mol. Its IUPAC name is 2-[4-[2-chloro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone;2-[4-[2-chloro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(1H-pyrrol-3-yl)ethanone;2-[4-[2-fluoro-4-[2-[4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(1H-pyrrol-3-yl)ethanone;2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(4-methyl-1H-pyrrol-3-yl)ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1,4,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;methane.
| Compound Name | 2-[4-[2-chloro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone;2-[4-[2-chloro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(1H-pyrrol-3-yl)ethanone;2-[4-[2-fluoro-4-[2-[4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(1H-pyrrol-3-yl)ethanone;2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(4-methyl-1H-pyrrol-3-yl)ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1,4,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;methane |
|---|---|
| PubChem CID | 158892693 |
| Molecular Formula | C166H173Cl2F4N15O10 |
| Molecular Weight | 2685.20 g/mol |
| Exact Mass | 2682.28 |
| IUPAC Name | 2-[4-[2-chloro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone;2-[4-[2-chloro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(1H-pyrrol-3-yl)ethanone;2-[4-[2-fluoro-4-[2-[4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(1H-pyrrol-3-yl)ethanone;2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]-1-(4-methyl-1H-pyrrol-3-yl)ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1,4,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;methane |
| SMILES | C.CC1(F)CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5cc[nH]c5)cc4)c(F)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5cc[nH]c5)cc4)c(Cl)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5ccn(C)c5)cc4)c(Cl)c3)cc2)CC1.Cc1c(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)c(F)c2)cn(C)c1C.Cc1c[nH]cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2F)cc1 |
| InChI | InChI=1S/C35H38FN3O2.C33H34ClN3O2.C33H34FN3O2.C32H32ClN3O2.C32H31F2N3O2.CH4/c1-23-15-17-39(18-16-23)30-12-8-28(9-13-30)34(40)20-26-5-10-29(11-6-26)37-33-14-7-27(19-32(33)36)21-35(41)31-22-38(4)25(3)24(31)2;1-23-13-17-37(18-14-23)29-10-6-26(7-11-29)32(38)21-25-5-12-31(30(34)19-25)35-28-8-3-24(4-9-28)20-33(39)27-15-16-36(2)22-27;1-22-13-15-37(16-14-22)28-10-6-26(7-11-28)32(38)19-25-5-12-31(30(34)17-25)36-27-8-3-24(4-9-27)18-33(39)29-21-35-20-23(29)2;1-22-13-16-36(17-14-22)28-9-5-25(6-10-28)31(37)20-24-4-11-30(29(33)18-24)35-27-7-2-23(3-8-27)19-32(38)26-12-15-34-21-26;1-32(34)13-16-37(17-14-32)27-9-5-24(6-10-27)30(38)20-23-4-11-29(28(33)18-23)36-26-7-2-22(3-8-26)19-31(39)25-12-15-35-21-25;/h5-14,19,22-23,37H,15-18,20-21H2,1-4H3;3-12,15-16,19,22-23,35H,13-14,17-18,20-21H2,1-2H3;3-12,17,20-22,35-36H,13-16,18-19H2,1-2H3;2-12,15,18,21-22,34-35H,13-14,16-17,19-20H2,1H3;2-12,15,18,21,35-36H,13-14,16-17,19-20H2,1H3;1H4 |
| InChIKey | JELAAKZGFPZZCA-UHFFFAOYSA-N |
| XLogP | 37.63 |
| TPSA | 304.28 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 197 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2685.20 |
| LogP ≤ 5 | 37.63 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 22 |