C136H116F18N38O10 — CID 158742592
2-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-(4-methoxybutyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 158742592) has the molecular formula C136H116F18N38O10 and a molecular weight of 2784.64 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-(4-methoxybutyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide.
| Compound Name | 2-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-(4-methoxybutyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158742592 |
| Molecular Formula | C136H116F18N38O10 |
| Molecular Weight | 2784.64 g/mol |
| Exact Mass | 2782.94 |
| IUPAC Name | 2-(dimethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-(4-methoxybutyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide |
| SMILES | CN(C)c1ncccc1C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.COCCCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccnc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(O)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccnc1NCCN1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccnc(NCCN2CCOCC2)c1 |
| InChI | InChI=1S/2C26H25F3N8O2.C22H18F3N7O.C21H14F3N5O2.C21H21F3N4O2.C20H13F3N6O/c27-26(28,29)22-15-21(18-3-1-7-30-16-18)35-37(22)23-6-5-19(17-33-23)34-25(38)20-4-2-8-31-24(20)32-9-10-36-11-13-39-14-12-36;27-26(28,29)22-15-21(19-2-1-6-30-16-19)35-37(22)24-4-3-20(17-33-24)34-25(38)18-5-7-31-23(14-18)32-8-9-36-10-12-39-13-11-36;1-31(2)20-16(6-4-10-27-20)21(33)29-15-7-8-19(28-13-15)32-18(22(23,24)25)11-17(30-32)14-5-3-9-26-12-14;22-21(23,24)18-10-17(14-4-2-8-25-11-14)28-29(18)19-7-6-15(12-26-19)27-20(31)13-3-1-5-16(30)9-13;1-30-12-3-2-11-26-20(29)15-6-8-17(9-7-15)28-19(21(22,23)24)13-18(27-28)16-5-4-10-25-14-16;21-20(22,23)17-9-16(13-3-1-7-24-10-13)28-29(17)15-5-6-18(26-12-15)27-19(30)14-4-2-8-25-11-14/h1-8,15-17H,9-14H2,(H,31,32)(H,34,38);1-7,14-17H,8-13H2,(H,31,32)(H,34,38);3-13H,1-2H3,(H,29,33);1-12,30H,(H,27,31);4-10,13-14H,2-3,11-12H2,1H3,(H,26,29);1-12H,(H,26,27,30) |
| InChIKey | IMMDYORKNAHLAY-UHFFFAOYSA-N |
| XLogP | 23.95 |
| TPSA | 556.57 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 202 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2784.64 |
| LogP ≤ 5 | 23.95 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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