C157H126Cl2F29N29O21 — CID 160779532
5-(6-chloro-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-chloro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2,5-difluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 160779532) has the molecular formula C157H126Cl2F29N29O21 and a molecular weight of 3376.76 g/mol. Its IUPAC name is 5-(6-chloro-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-chloro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2,5-difluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide.
| Compound Name | 5-(6-chloro-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-chloro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2,5-difluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide |
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| PubChem CID | 160779532 |
| Molecular Formula | C157H126Cl2F29N29O21 |
| Molecular Weight | 3376.76 g/mol |
| Exact Mass | 3373.86 |
| IUPAC Name | 5-(6-chloro-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-chloro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2,5-difluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide |
| SMILES | Cc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)cc1F.N#Cc1cncc(-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)cnc2F)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccc(C(F)(F)F)nc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cnc(Cl)c(F)c2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(Cl)c2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cnccc2F)c1 |
| InChI | InChI=1S/C23H18F6N4O3.C23H20F4N4O3.C23H18F3N5O3.C22H17ClF4N4O3.C22H18ClF3N4O3.C22H17F5N4O3.C22H18F4N4O3/c24-22(25,26)19-6-1-13(10-30-19)18-9-14(11-31-20(18)33-8-7-16(34)12-33)21(35)32-15-2-4-17(5-3-15)36-23(27,28)29;1-13-20(24)9-14(10-28-13)19-8-15(11-29-21(19)31-7-6-17(32)12-31)22(33)30-16-2-4-18(5-3-16)34-23(25,26)27;24-23(25,26)34-19-3-1-17(2-4-19)30-22(33)16-8-20(15-7-14(9-27)10-28-11-15)21(29-12-16)31-6-5-18(32)13-31;23-19-18(24)8-12(9-28-19)17-7-13(10-29-20(17)31-6-5-15(32)11-31)21(33)30-14-1-3-16(4-2-14)34-22(25,26)27;23-15-7-13(9-27-11-15)19-8-14(10-28-20(19)30-6-5-17(31)12-30)21(32)29-16-1-3-18(4-2-16)33-22(24,25)26;23-13-8-17(19(24)28-10-13)18-7-12(9-29-20(18)31-6-5-15(32)11-31)21(33)30-14-1-3-16(4-2-14)34-22(25,26)27;23-19-5-7-27-11-18(19)17-9-13(10-28-20(17)30-8-6-15(31)12-30)21(32)29-14-1-3-16(4-2-14)33-22(24,25)26/h1-6,9-11,16,34H,7-8,12H2,(H,32,35);2-5,8-11,17,32H,6-7,12H2,1H3,(H,30,33);1-4,7-8,10-12,18,32H,5-6,13H2,(H,30,33);1-4,7-10,15,32H,5-6,11H2,(H,30,33);1-4,7-11,17,31H,5-6,12H2,(H,29,32);1-4,7-10,15,32H,5-6,11H2,(H,30,33);1-5,7,9-11,15,31H,6,8,12H2,(H,29,32)/t16-;17-;18-;15-;17-;2*15-/m1111111/s1 |
| InChIKey | SAJUSHJKDSAWCT-RNBCSQOQSA-N |
| XLogP | 30.26 |
| TPSA | 636.85 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 238 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3376.76 |
| LogP ≤ 5 | 30.26 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 43 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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