C169H145F26N23O25 — CID 161212925
5-(3,5-difluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-fluoro-5-(2-hydroxypropan-2-yl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-fluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(hydroxymethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-quinoxalin-6-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 (PubChem CID 161212925) has the molecular formula C169H145F26N23O25 and a molecular weight of 3392.10 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-fluoro-5-(2-hydroxypropan-2-yl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-fluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(hydroxymethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-quinoxalin-6-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.
| Compound Name | 5-(3,5-difluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-fluoro-5-(2-hydroxypropan-2-yl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-fluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(hydroxymethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-quinoxalin-6-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 |
|---|---|
| PubChem CID | 161212925 |
| Molecular Formula | C169H145F26N23O25 |
| Molecular Weight | 3392.10 g/mol |
| Exact Mass | 3390.04 |
| IUPAC Name | 5-(3,5-difluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-fluoro-5-(2-hydroxypropan-2-yl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-fluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(hydroxymethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-quinoxalin-6-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 |
| SMILES | CC(C)(O)c1cc(F)cc(-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.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc(F)cc(F)c2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccc3nccnc3c2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cccc(CO)c2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cccc(F)c2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccccc2)c1 |
| InChI | InChI=1S/C26H25F4N3O4.C25H21F4N3O5.C25H20F3N5O3.C24H22F3N3O4.C23H18F5N3O3.C23H19F4N3O3.C23H20F3N3O3/c1-25(2,36)17-9-15(10-18(27)12-17)22-11-16(13-31-23(22)33-8-7-20(34)14-33)24(35)32-19-3-5-21(6-4-19)37-26(28,29)30;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;26-25(27,28)36-19-4-2-17(3-5-19)32-24(35)16-11-20(23(31-13-16)33-10-7-18(34)14-33)15-1-6-21-22(12-15)30-9-8-29-21;25-24(26,27)34-20-6-4-18(5-7-20)29-23(33)17-11-21(16-3-1-2-15(10-16)14-31)22(28-12-17)30-9-8-19(32)13-30;24-15-7-13(8-16(25)10-15)20-9-14(11-29-21(20)31-6-5-18(32)12-31)22(33)30-17-1-3-19(4-2-17)34-23(26,27)28;24-16-3-1-2-14(10-16)20-11-15(12-28-21(20)30-9-8-18(31)13-30)22(32)29-17-4-6-19(7-5-17)33-23(25,26)27;24-23(25,26)32-19-8-6-17(7-9-19)28-22(31)16-12-20(15-4-2-1-3-5-15)21(27-13-16)29-11-10-18(30)14-29/h3-6,9-13,20,34,36H,7-8,14H2,1-2H3,(H,32,35);2-5,8-12,19,33H,6-7,13H2,1H3,(H,31,34);1-6,8-9,11-13,18,34H,7,10,14H2,(H,32,35);1-7,10-12,19,31-32H,8-9,13-14H2,(H,29,33);1-4,7-11,18,32H,5-6,12H2,(H,30,33);1-7,10-12,18,31H,8-9,13H2,(H,29,32);1-9,12-13,18,30H,10-11,14H2,(H,28,31)/t20-;19-;18-;19-;3*18-/m1111111/s1 |
| InChIKey | UWMCCLFVKGFLIL-JKPRJODDSA-N |
| XLogP | 31.44 |
| TPSA | 615.37 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 243 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3392.10 |
| LogP ≤ 5 | 31.44 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 41 |