C156H129Cl4F25N28O21 — CID 157481764
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2-chloro-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-3-pyridinyl)pyridine-3-carboxamide;5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypyrrolidin-1-yl)-5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 157481764) has the molecular formula C156H129Cl4F25N28O21 and a molecular weight of 3348.68 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2-chloro-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-3-pyridinyl)pyridine-3-carboxamide;5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypyrrolidin-1-yl)-5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide.
| Compound Name | N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2-chloro-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-3-pyridinyl)pyridine-3-carboxamide;5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypyrrolidin-1-yl)-5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157481764 |
| Molecular Formula | C156H129Cl4F25N28O21 |
| Molecular Weight | 3348.68 g/mol |
| Exact Mass | 3344.82 |
| IUPAC Name | N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2-chloro-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-3-pyridinyl)pyridine-3-carboxamide;5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypyrrolidin-1-yl)-5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide |
| SMILES | Cc1ccncc1-c1cc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cnc1N1CC[C@@H](O)C1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc(F)cnc2Cl)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cnccc2F)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC(O)C2)c(-c2ccc(C(F)(F)F)nc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC(O)C2)c(-c2ccncc2)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(-c2ccccn2)c1 |
| InChI | InChI=1S/C23H21ClF2N4O3.C23H18F6N4O3.C22H17Cl2F3N4O3.C22H18ClF3N4O3.C22H17F5N4O3.2C22H19F3N4O3/c1-14-6-8-27-12-20(14)19-10-15(11-28-21(19)30-9-7-17(31)13-30)22(32)29-16-2-4-18(5-3-16)33-23(24,25)26;24-22(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;23-19-17(8-13(25)10-28-19)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(24,26)27;23-22(25,26)33-16-3-1-14(2-4-16)29-21(32)13-9-17(18-11-27-7-5-19(18)24)20(28-10-13)30-8-6-15(31)12-30;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;23-22(24,25)32-18-3-1-16(2-4-18)28-21(31)15-11-19(14-5-8-26-9-6-14)20(27-12-15)29-10-7-17(30)13-29;23-22(24,25)32-17-6-4-15(5-7-17)28-21(31)14-11-18(19-3-1-2-9-26-19)20(27-12-14)29-10-8-16(30)13-29/h2-6,8,10-12,17,31H,7,9,13H2,1H3,(H,29,32);1-6,9-11,16,34H,7-8,12H2,(H,32,35);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);1-4,7-10,15,32H,5-6,11H2,(H,29,33);1-6,8-9,11-12,17,30H,7,10,13H2,(H,28,31);1-7,9,11-12,16,30H,8,10,13H2,(H,28,31)/t17-;;3*15-;;16-/m1.111.1/s1 |
| InChIKey | BWFXQEQSJXAVSR-ANXFFDGOSA-N |
| XLogP | 30.40 |
| TPSA | 613.06 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 234 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3348.68 |
| LogP ≤ 5 | 30.40 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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