C139H120ClF25N24O13 — CID 161083043
5-(5-chloro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2,5-difluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 161083043) has the molecular formula C139H120ClF25N24O13 and a molecular weight of 2845.05 g/mol. Its IUPAC name is 5-(5-chloro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2,5-difluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 5-(5-chloro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2,5-difluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 161083043 |
| Molecular Formula | C139H120ClF25N24O13 |
| Molecular Weight | 2845.05 g/mol |
| Exact Mass | 2842.88 |
| IUPAC Name | 5-(5-chloro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2,5-difluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | CC(F)(F)c1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)cn1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cc(F)cnc2F)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc(F)nc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cccnc2F)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncc(Cl)c2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cnccc2F)C1 |
| InChI | InChI=1S/C24H21F5N4O3.C23H20ClF3N4O2.C23H19F5N4O2.3C23H20F4N4O2/c1-23(25,26)20-7-2-14(11-30-20)19-10-15(12-31-21(19)33-9-8-17(34)13-33)22(35)32-16-3-5-18(6-4-16)36-24(27,28)29;1-14-6-7-31(13-14)21-20(15-8-17(24)12-28-10-15)9-16(11-29-21)22(32)30-18-2-4-19(5-3-18)33-23(25,26)27;1-13-6-7-32(12-13)21-19(18-9-15(24)11-29-20(18)25)8-14(10-30-21)22(33)31-16-2-4-17(5-3-16)34-23(26,27)28;1-14-8-9-31(13-14)21-19(15-2-7-20(24)28-11-15)10-16(12-29-21)22(32)30-17-3-5-18(6-4-17)33-23(25,26)27;1-14-7-9-31(13-14)21-18(19-12-28-8-6-20(19)24)10-15(11-29-21)22(32)30-16-2-4-17(5-3-16)33-23(25,26)27;1-14-8-10-31(13-14)21-19(18-3-2-9-28-20(18)24)11-15(12-29-21)22(32)30-16-4-6-17(7-5-16)33-23(25,26)27/h2-7,10-12,17,34H,8-9,13H2,1H3,(H,32,35);2-5,8-12,14H,6-7,13H2,1H3,(H,30,32);2-5,8-11,13H,6-7,12H2,1H3,(H,31,33);2-7,10-12,14H,8-9,13H2,1H3,(H,30,32);2-6,8,10-12,14H,7,9,13H2,1H3,(H,30,32);2-7,9,11-12,14H,8,10,13H2,1H3,(H,30,32)/t17-;14-;13-;3*14-/m111111/s1 |
| InChIKey | UGDQNYCDRVHLJN-HVFNBFRVSA-N |
| XLogP | 32.03 |
| TPSA | 424.33 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 202 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2845.05 |
| LogP ≤ 5 | 32.03 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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