C166H172Cl7F17N40O23S — CID 161483786
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(2S)-2-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(2R)-2-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(2-hydroxypentylamino)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-hydroxypentylamino)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (PubChem CID 161483786) has the molecular formula C166H172Cl7F17N40O23S and a molecular weight of 3698.66 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(2S)-2-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(2R)-2-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(2-hydroxypentylamino)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-hydroxypentylamino)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.
| Compound Name | N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(2S)-2-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(2R)-2-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(2-hydroxypentylamino)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-hydroxypentylamino)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 161483786 |
| Molecular Formula | C166H172Cl7F17N40O23S |
| Molecular Weight | 3698.66 g/mol |
| Exact Mass | 3693.08 |
| IUPAC Name | N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(2S)-2-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(2R)-2-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(2-hydroxypentylamino)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3S)-3-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[[(3R)-3-hydroxypentyl]amino]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-hydroxypentylamino)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide |
| SMILES | CCC(O)CCNc1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1ccn[nH]1.CCCC(O)CNc1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1ccn[nH]1.CCC[C@@H](O)CNc1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1ccn[nH]1.CCC[C@H](O)CNc1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1ccn[nH]1.CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1ccn[nH]1.CCN(CCO)c1ncc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1-c1ccn[nH]1.CC[C@@H](O)CCNc1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1ccn[nH]1.CC[C@H](O)CCNc1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1ccn[nH]1 |
| InChI | InChI=1S/6C21H22ClF2N5O3.C20H20ClF2N5O3.C20H20F3N5O2S/c3*1-2-15(30)7-9-25-19-17(18-8-10-27-29-18)11-13(12-26-19)20(31)28-14-3-5-16(6-4-14)32-21(22,23)24;3*1-2-3-15(30)12-26-19-17(18-8-9-27-29-18)10-13(11-25-19)20(31)28-14-4-6-16(7-5-14)32-21(22,23)24;2*1-2-28(9-10-29)18-16(17-7-8-25-27-17)11-13(12-24-18)19(30)26-14-3-5-15(6-4-14)31-20(21,22)23/h3*3-6,8,10-12,15,30H,2,7,9H2,1H3,(H,25,26)(H,27,29)(H,28,31);3*4-11,15,30H,2-3,12H2,1H3,(H,25,26)(H,27,29)(H,28,31);2*3-8,11-12,29H,2,9-10H2,1H3,(H,25,27)(H,26,30)/t2*15-;;2*15-;;;/m10.10.../s1 |
| InChIKey | WESCKRMUDJXUJC-BSFGGFNBSA-N |
| XLogP | 34.65 |
| TPSA | 870.47 Ų |
| H-Bond Donors | 30 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 77 |
| Heavy Atoms | 254 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3698.66 |
| LogP ≤ 5 | 34.65 |
| H-Bond Donors ≤ 5 | 30 |
| H-Bond Acceptors ≤ 10 | 48 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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