C106H101Cl3F12N26O15 — CID 158940017
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;6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 158940017) has the molecular formula C106H101Cl3F12N26O15 and a molecular weight of 2313.48 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;6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-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;6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158940017 |
| Molecular Formula | C106H101Cl3F12N26O15 |
| Molecular Weight | 2313.48 g/mol |
| Exact Mass | 2310.68 |
| 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;6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | 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)F)cc1)c1cnc(N2CCNC3(CC3)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOC(CO)C2)c(-c2ccn[nH]2)c1 |
| InChI | InChI=1S/C22H21F3N6O2.3C21H20ClF2N5O3.C21H20F3N5O4/c23-22(24,25)33-16-3-1-15(2-4-16)29-20(32)14-11-17(18-5-8-28-30-18)19(26-12-14)31-10-9-27-21(13-31)6-7-21;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;22-21(23,24)33-15-3-1-14(2-4-15)27-20(31)13-9-17(18-5-6-26-28-18)19(25-10-13)29-7-8-32-16(11-29)12-30/h1-5,8,11-12,27H,6-7,9-10,13H2,(H,28,30)(H,29,32);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);1-6,9-10,16,30H,7-8,11-12H2,(H,26,28)(H,27,31)/t;;2*15-;/m..10./s1 |
| InChIKey | JKDAMKCLHDXHCE-LQVFFGIHSA-N |
| XLogP | 17.94 |
| TPSA | 517.88 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2313.48 |
| LogP ≤ 5 | 17.94 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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