C108H128F6N24O16S — CID 158480797
1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-hydroxypropan-2-yl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide (PubChem CID 158480797) has the molecular formula C108H128F6N24O16S and a molecular weight of 2164.42 g/mol. Its IUPAC name is 1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-hydroxypropan-2-yl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide.
| Compound Name | 1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-hydroxypropan-2-yl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide |
|---|---|
| PubChem CID | 158480797 |
| Molecular Formula | C108H128F6N24O16S |
| Molecular Weight | 2164.42 g/mol |
| Exact Mass | 2162.96 |
| IUPAC Name | 1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-hydroxypropan-2-yl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide |
| SMILES | CCN1CCN(c2cc(C(=O)Nc3cnc(C)c(-c4cc(NCCO)nc(N5CCOCC5)c4)c3)cc(C(F)(F)F)c2)CC1.CCn1cc(C(=O)Nc2cnc(C)c(-c3cc(NCCO)nc(N4CCOCC4)c3)c2)cc(C(F)(F)F)c1=O.Cc1ncc(NC(=O)c2cccc(C(C)(C)O)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1 |
| InChI | InChI=1S/C31H38F3N7O3.C27H33N5O4.C26H29F3N6O4.C24H28N6O5S/c1-3-39-5-7-40(8-6-39)26-15-23(14-24(18-26)31(32,33)34)30(43)37-25-19-27(21(2)36-20-25)22-16-28(35-4-11-42)38-29(17-22)41-9-12-44-13-10-41;1-18-23(20-14-24(28-7-10-33)31-25(15-20)32-8-11-36-12-9-32)16-22(17-29-18)30-26(34)19-5-4-6-21(13-19)27(2,3)35;1-3-34-15-18(10-21(25(34)38)26(27,28)29)24(37)32-19-13-20(16(2)31-14-19)17-11-22(30-4-7-36)33-23(12-17)35-5-8-39-9-6-35;1-16-20(18-11-21(25-5-8-31)29-22(12-18)30-6-9-35-10-7-30)14-19(15-27-16)28-24(32)17-3-4-26-23(13-17)36(2,33)34/h14-20,42H,3-13H2,1-2H3,(H,35,38)(H,37,43);4-6,13-17,33,35H,7-12H2,1-3H3,(H,28,31)(H,30,34);10-15,36H,3-9H2,1-2H3,(H,30,33)(H,32,37);3-4,11-15,31H,5-10H2,1-2H3,(H,25,29)(H,28,32) |
| InChIKey | HHMPECSSJGNOFR-UHFFFAOYSA-N |
| XLogP | 12.17 |
| TPSA | 494.18 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 155 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2164.42 |
| LogP ≤ 5 | 12.17 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 36 |