C155H142F12N36O12 — CID 160598829
N-[4-[3-(1-benzylimidazol-4-yl)-5-methylpyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-(5-ethyl-3-pyridin-3-ylpyrazol-1-yl)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide;2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 160598829) has the molecular formula C155H142F12N36O12 and a molecular weight of 2929.06 g/mol. Its IUPAC name is N-[4-[3-(1-benzylimidazol-4-yl)-5-methylpyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-(5-ethyl-3-pyridin-3-ylpyrazol-1-yl)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide;2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.
| Compound Name | N-[4-[3-(1-benzylimidazol-4-yl)-5-methylpyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-(5-ethyl-3-pyridin-3-ylpyrazol-1-yl)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide;2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 160598829 |
| Molecular Formula | C155H142F12N36O12 |
| Molecular Weight | 2929.06 g/mol |
| Exact Mass | 2927.14 |
| IUPAC Name | N-[4-[3-(1-benzylimidazol-4-yl)-5-methylpyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-(5-ethyl-3-pyridin-3-ylpyrazol-1-yl)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide;2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide |
| SMILES | C.C.CCc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(OCC3CCCO3)nc2)cc1.Cc1cc(-c2cn(Cc3ccccc3)cn2)nn1-c1ccc(NC(=O)c2cccnc2)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCCCCCO.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCCN1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1ccnc(NCCO)c1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cncnc3)o2)cc1)c1cccnc1 |
| InChI | InChI=1S/C27H26F3N7O2.C27H27N5O3.C26H25F3N6O2.C26H22N6O.C24H15F3N6O2.C23H19F3N6O2.2CH4/c28-27(29,30)24-17-23(19-3-1-9-31-18-19)35-37(24)21-7-5-20(6-8-21)34-26(38)22-4-2-10-32-25(22)33-11-12-36-13-15-39-16-14-36;1-2-22-15-25(19-5-3-13-28-16-19)31-32(22)23-10-8-21(9-11-23)30-27(33)20-7-12-26(29-17-20)35-18-24-6-4-14-34-24;27-26(28,29)23-16-22(18-6-4-12-30-17-18)34-35(23)20-10-8-19(9-11-20)33-25(37)21-7-5-14-32-24(21)31-13-2-1-3-15-36;1-19-14-24(25-17-31(18-28-25)16-20-6-3-2-4-7-20)30-32(19)23-11-9-22(10-12-23)29-26(33)21-8-5-13-27-15-21;25-24(26,27)22-10-19(21-8-7-20(35-21)16-12-29-14-30-13-16)33(32-22)18-5-3-17(4-6-18)31-23(34)15-2-1-9-28-11-15;24-23(25,26)20-13-19(16-2-1-8-27-14-16)31-32(20)18-5-3-17(4-6-18)30-22(34)15-7-9-28-21(12-15)29-10-11-33;;/h1-10,17-18H,11-16H2,(H,32,33)(H,34,38);3,5,7-13,15-17,24H,2,4,6,14,18H2,1H3,(H,30,33);4-12,14,16-17,36H,1-3,13,15H2,(H,31,32)(H,33,37);2-15,17-18H,16H2,1H3,(H,29,33);1-14H,(H,31,34);1-9,12-14,33H,10-11H2,(H,28,29)(H,30,34);2*1H4 |
| InChIKey | RDZPMKFNPVPIIW-UHFFFAOYSA-N |
| XLogP | 29.49 |
| TPSA | 574.64 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 215 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2929.06 |
| LogP ≤ 5 | 29.49 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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