C148H137F21N20O18 — CID 157241165
5-(3-tert-butyl-5-fluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-ethylmorpholin-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-ethylphenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-fluorophenyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;methyl 3-fluoro-5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]-3-pyridinyl]benzoate;6-[(3R)-3-methylpyrrolidin-1-yl]-5-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 157241165) has the molecular formula C148H137F21N20O18 and a molecular weight of 2882.80 g/mol. Its IUPAC name is 5-(3-tert-butyl-5-fluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-ethylmorpholin-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-ethylphenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-fluorophenyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;methyl 3-fluoro-5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]-3-pyridinyl]benzoate;6-[(3R)-3-methylpyrrolidin-1-yl]-5-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 5-(3-tert-butyl-5-fluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-ethylmorpholin-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-ethylphenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-fluorophenyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;methyl 3-fluoro-5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]-3-pyridinyl]benzoate;6-[(3R)-3-methylpyrrolidin-1-yl]-5-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157241165 |
| Molecular Formula | C148H137F21N20O18 |
| Molecular Weight | 2882.80 g/mol |
| Exact Mass | 2881.01 |
| IUPAC Name | 5-(3-tert-butyl-5-fluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-ethylmorpholin-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-ethylphenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-fluorophenyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;methyl 3-fluoro-5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]-3-pyridinyl]benzoate;6-[(3R)-3-methylpyrrolidin-1-yl]-5-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | CC(C)(C)c1cc(F)cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.CCC1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)CCO1.CCc1cccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.COC(=O)c1cc(F)cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cccc(F)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccccc2)C1 |
| InChI | InChI=1S/C27H27F4N3O3.C25H21F4N3O5.C25H24F3N3O3.C24H21F4N3O2.C24H22F3N3O2.C23H22F3N5O3/c1-26(2,3)18-10-16(11-19(28)13-18)23-12-17(14-32-24(23)34-9-8-21(35)15-34)25(36)33-20-4-6-22(7-5-20)37-27(29,30)31;1-36-24(35)15-8-14(9-17(26)10-15)21-11-16(12-30-22(21)32-7-6-19(33)13-32)23(34)31-18-2-4-20(5-3-18)37-25(27,28)29;1-2-16-4-3-5-17(12-16)22-13-18(14-29-23(22)31-11-10-20(32)15-31)24(33)30-19-6-8-21(9-7-19)34-25(26,27)28;1-15-9-10-31(14-15)22-21(16-3-2-4-18(25)11-16)12-17(13-29-22)23(32)30-19-5-7-20(8-6-19)33-24(26,27)28;1-16-11-12-30(15-16)22-21(17-5-3-2-4-6-17)13-18(14-28-22)23(31)29-19-7-9-20(10-8-19)32-24(25,26)27;1-2-18-13-31(7-8-33-18)21-20(16-10-27-14-28-11-16)9-15(12-29-21)22(32)30-17-3-5-19(6-4-17)34-23(24,25)26/h4-7,10-14,21,35H,8-9,15H2,1-3H3,(H,33,36);2-5,8-12,19,33H,6-7,13H2,1H3,(H,31,34);3-9,12-14,20,32H,2,10-11,15H2,1H3,(H,30,33);2-8,11-13,15H,9-10,14H2,1H3,(H,30,32);2-10,13-14,16H,11-12,15H2,1H3,(H,29,31);3-6,9-12,14,18H,2,7-8,13H2,1H3,(H,30,32)/t21-;19-;20-;15-;16-;/m11111./s1 |
| InChIKey | AVFQAUKLPASMAZ-NBXNJBOASA-N |
| XLogP | 31.27 |
| TPSA | 448.76 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 207 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2882.80 |
| LogP ≤ 5 | 31.27 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 32 |