C134H111Cl2F25N26O18 — CID 158104883
5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(6-amino-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(2,6-difluoro-4-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-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 158104883) has the molecular formula C134H111Cl2F25N26O18 and a molecular weight of 2919.38 g/mol. Its IUPAC name is 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(6-amino-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(2,6-difluoro-4-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-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide.
| Compound Name | 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(6-amino-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(2,6-difluoro-4-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-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158104883 |
| Molecular Formula | C134H111Cl2F25N26O18 |
| Molecular Weight | 2919.38 g/mol |
| Exact Mass | 2916.75 |
| IUPAC Name | 5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(6-amino-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(2,6-difluoro-4-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-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide |
| SMILES | CC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CC[C@@H](O)C3)c(-c3cncc(F)c3)c2)cc1.Nc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)cc1F.Nc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)cc1F.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc(F)nc(F)c2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc(F)nc(F)c2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(C(F)(F)F)c2)c1 |
| InChI | InChI=1S/C23H18F6N4O3.C23H21F3N4O3.C22H17ClF4N4O3.C22H19ClF3N5O3.C22H17F5N4O3.C22H19F4N5O3/c24-22(25,26)15-7-13(9-30-11-15)19-8-14(10-31-20(19)33-6-5-17(34)12-33)21(35)32-16-1-3-18(4-2-16)36-23(27,28)29;1-23(25,26)33-19-4-2-17(3-5-19)29-22(32)15-9-20(14-8-16(24)12-27-10-14)21(28-11-15)30-7-6-18(31)13-30;23-22(26,27)34-16-3-1-14(2-4-16)29-21(33)13-7-17(12-8-18(24)30-19(25)9-12)20(28-10-13)31-6-5-15(32)11-31;23-22(25,26)34-16-3-1-14(2-4-16)30-21(33)13-7-17(12-8-18(24)19(27)28-9-12)20(29-10-13)31-6-5-15(32)11-31;23-18-8-12(9-19(24)30-18)17-7-13(10-28-20(17)31-6-5-15(32)11-31)21(33)29-14-1-3-16(4-2-14)34-22(25,26)27;23-18-8-12(9-28-19(18)27)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(24,25)26/h1-4,7-11,17,34H,5-6,12H2,(H,32,35);2-5,8-12,18,31H,6-7,13H2,1H3,(H,29,32);1-4,7-10,15,32H,5-6,11H2,(H,29,33);1-4,7-10,15,32H,5-6,11H2,(H2,27,28)(H,30,33);1-4,7-10,15,32H,5-6,11H2,(H,29,33);1-4,7-10,15,32H,5-6,11H2,(H2,27,28)(H,30,33)/t17-;18-;4*15-/m111111/s1 |
| InChIKey | FPSDQTCUYFJZPA-RLGLDQQQSA-N |
| XLogP | 24.98 |
| TPSA | 577.52 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 205 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2919.38 |
| LogP ≤ 5 | 24.98 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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