C145H136Cl4F17N35O20 — CID 158790696
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypiperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-hydroxypiperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4-hydroxypiperidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-methyl-1H-imidazol-2-yl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 158790696) has the molecular formula C145H136Cl4F17N35O20 and a molecular weight of 3153.69 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypiperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-hydroxypiperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4-hydroxypiperidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-methyl-1H-imidazol-2-yl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypiperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-hydroxypiperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4-hydroxypiperidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-methyl-1H-imidazol-2-yl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
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| PubChem CID | 158790696 |
| Molecular Formula | C145H136Cl4F17N35O20 |
| Molecular Weight | 3153.69 g/mol |
| Exact Mass | 3149.92 |
| IUPAC Name | N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypiperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-hydroxypiperidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4-hydroxypiperidin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-imidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-methyl-1H-imidazol-2-yl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | CC1(O)CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ncc[nH]2)C1.Cc1cnc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](C)C2)[nH]1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC(O)CC2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC[C@@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC[C@H](O)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ncc[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ncc[nH]2)c1 |
| InChI | InChI=1S/C22H22F3N5O2.3C21H20ClF2N5O3.C20H18ClF2N5O3.2C20H18F3N5O3/c1-13-7-8-30(12-13)20-18(19-26-10-14(2)28-19)9-15(11-27-20)21(31)29-16-3-5-17(6-4-16)32-22(23,24)25;22-21(23,24)32-16-3-1-14(2-4-16)27-20(31)13-11-17(18-5-8-26-28-18)19(25-12-13)29-9-6-15(30)7-10-29;2*22-21(23,24)32-16-5-3-14(4-6-16)27-20(31)13-10-17(18-7-8-26-28-18)19(25-11-13)29-9-1-2-15(30)12-29;21-20(22,23)31-15-3-1-13(2-4-15)27-19(30)12-9-16(17-24-6-7-25-17)18(26-10-12)28-8-5-14(29)11-28;1-19(30)10-28(11-19)17-15(16-24-6-7-25-16)8-12(9-26-17)18(29)27-13-2-4-14(5-3-13)31-20(21,22)23;21-20(22,23)31-15-3-1-13(2-4-15)27-19(30)12-9-16(17-24-6-7-25-17)18(26-10-12)28-8-5-14(29)11-28/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,26,28)(H,29,31);1-5,8,11-12,15,30H,6-7,9-10H2,(H,26,28)(H,27,31);2*3-8,10-11,15,30H,1-2,9,12H2,(H,26,28)(H,27,31);1-4,6-7,9-10,14,29H,5,8,11H2,(H,24,25)(H,27,30);2-9,30H,10-11H2,1H3,(H,24,25)(H,27,29);1-4,6-7,9-10,14,29H,5,8,11H2,(H,24,25)(H,27,30)/t13-;;2*15-;14-;;14-/m1.101.1/s1 |
| InChIKey | ISFTXSTUNJOLKU-NCYWDUPHSA-N |
| XLogP | 26.19 |
| TPSA | 703.36 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 221 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3153.69 |
| LogP ≤ 5 | 26.19 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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