C154H161F15N28O24 — CID 159557122
2-cyclopropyl-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;methyl N-[(2R)-2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]propyl]carbamate (PubChem CID 159557122) has the molecular formula C154H161F15N28O24 and a molecular weight of 3073.12 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;methyl N-[(2R)-2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]propyl]carbamate.
| Compound Name | 2-cyclopropyl-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;methyl N-[(2R)-2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]propyl]carbamate |
|---|---|
| PubChem CID | 159557122 |
| Molecular Formula | C154H161F15N28O24 |
| Molecular Weight | 3073.12 g/mol |
| Exact Mass | 3071.20 |
| IUPAC Name | 2-cyclopropyl-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;methyl N-[(2R)-2-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]propyl]carbamate |
| SMILES | COC(=O)NC[C@@H](C)Oc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1F |
| InChI | InChI=1S/C28H30F3N5O5.C27H30N4O4.C26H28F2N4O4.2C25H25F3N4O4.C23H23F4N7O3/c1-17(14-34-27(38)39-3)41-26-24(36-7-9-40-10-8-36)12-20(15-33-26)23-13-22(16-32-18(23)2)35-25(37)19-5-4-6-21(11-19)28(29,30)31;1-18-2-5-22(30-26(33)20-6-7-28-24(14-20)19-3-4-19)16-23(18)21-15-25(31-8-11-34-12-9-31)27(29-17-21)35-13-10-32;1-17-3-4-20(31-24(34)18-5-6-29-23(14-18)26(2,27)28)15-21(17)19-13-22(32-7-10-35-11-8-32)25(30-16-19)36-12-9-33;1-16-2-3-20(31-23(34)18-10-19(15-29-13-18)25(26,27)28)12-21(16)17-11-22(32-4-7-35-8-5-32)24(30-14-17)36-9-6-33;1-16-2-3-19(31-23(34)17-4-5-29-22(13-17)25(26,27)28)14-20(16)18-12-21(32-6-9-35-10-7-32)24(30-15-18)36-11-8-33;1-13-16(9-15(12-29-13)31-22(36)14-8-18(23(25,26)27)33-30-11-14)17-10-19(28-2-5-35)32-21(20(17)24)34-3-6-37-7-4-34/h4-6,11-13,15-17H,7-10,14H2,1-3H3,(H,34,38)(H,35,37);2,5-7,14-17,19,32H,3-4,8-13H2,1H3,(H,30,33);3-6,13-16,33H,7-12H2,1-2H3,(H,31,34);2-3,10-15,33H,4-9H2,1H3,(H,31,34);2-5,12-15,33H,6-11H2,1H3,(H,31,34);8-12,35H,2-7H2,1H3,(H,28,32)(H,31,36)/t17-;;;;;/m1...../s1 |
| InChIKey | MGDDUHPUHVQCLS-BATJUKGTSA-N |
| XLogP | 23.25 |
| TPSA | 627.54 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 221 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3073.12 |
| LogP ≤ 5 | 23.25 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 45 |