C150H144F3N25O21 — CID 158241628
4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide (PubChem CID 158241628) has the molecular formula C150H144F3N25O21 and a molecular weight of 2689.95 g/mol. Its IUPAC name is 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide.
| Compound Name | 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide |
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| PubChem CID | 158241628 |
| Molecular Formula | C150H144F3N25O21 |
| Molecular Weight | 2689.95 g/mol |
| Exact Mass | 2688.09 |
| IUPAC Name | 4-acetamido-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide;4-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-oxo-1H-pyridine-2-carboxamide;6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-4-(2-oxopyrrolidin-1-yl)pyridine-2-carboxamide |
| SMILES | C=C1N(C)CC[C@@]1(O)C#Cc1cc(-c2cc(OC)cc(C(N)=O)n2)ccc1F.C=C1N(C)CC[C@@]1(O)C#Cc1ccc(F)c(-c2cc(OC)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(=O)c(C)c(C(N)=O)[nH]2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(=O)cc(C(N)=O)[nH]2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(N3CCCC3=O)cc(C(N)=O)n2)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-c2cc(NC(C)=O)cc(C(N)=O)n2)c1.CN1CC[C@@](O)(C#Cc2cc(-c3nc(C(N)=O)cc4c3cnn4C)ccc2F)C1=O |
| InChI | InChI=1S/C24H24N4O3.C22H22N4O3.C21H18FN5O3.2C21H20FN3O3.C21H21N3O3.C20H19N3O3/c1-16-24(31,10-12-27(16)2)9-8-17-5-3-6-18(13-17)20-14-19(15-21(26-20)23(25)30)28-11-4-7-22(28)29;1-14-22(29,9-10-26(14)3)8-7-16-5-4-6-17(11-16)19-12-18(24-15(2)27)13-20(25-19)21(23)28;1-26-8-7-21(30,20(26)29)6-5-12-9-13(3-4-15(12)22)18-14-11-24-27(2)17(14)10-16(25-18)19(23)28;1-13-21(27,8-9-25(13)2)7-6-14-10-15(4-5-17(14)22)18-11-16(28-3)12-19(24-18)20(23)26;1-13-21(27,8-9-25(13)2)7-6-14-4-5-17(22)16(10-14)18-11-15(28-3)12-19(24-18)20(23)26;1-13-18(25)12-17(23-19(13)20(22)26)16-6-4-5-15(11-16)7-8-21(27)9-10-24(3)14(21)2;1-13-20(26,8-9-23(13)2)7-6-14-4-3-5-15(10-14)17-11-16(24)12-18(22-17)19(21)25/h3,5-6,13-15,31H,1,4,7,10-12H2,2H3,(H2,25,30);4-6,11-13,29H,1,9-10H2,2-3H3,(H2,23,28)(H,24,25,27);3-4,9-11,30H,7-8H2,1-2H3,(H2,23,28);2*4-5,10-12,27H,1,8-9H2,2-3H3,(H2,23,26);4-6,11-12,27H,2,9-10H2,1,3H3,(H2,22,26)(H,23,25);3-5,10-12,26H,1,8-9H2,2H3,(H2,21,25)(H,22,24)/t24-;22-;4*21-;20-/m0000000/s1 |
| InChIKey | GFPLGMNQKLHTSN-WYWVTOCNSA-N |
| XLogP | 10.77 |
| TPSA | 698.85 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2689.95 |
| LogP ≤ 5 | 10.77 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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