C144H115F24N33O10 — CID 159184796
N-(cyclohexylmethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;3,5-difluoro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-fluoro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-(4-hydroxycyclohexyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(5-hydroxypentyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(6-oxo-1H-pyridin-3-yl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]acetamide (PubChem CID 159184796) has the molecular formula C144H115F24N33O10 and a molecular weight of 2923.68 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;3,5-difluoro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-fluoro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-(4-hydroxycyclohexyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(5-hydroxypentyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(6-oxo-1H-pyridin-3-yl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]acetamide.
| Compound Name | N-(cyclohexylmethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;3,5-difluoro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-fluoro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-(4-hydroxycyclohexyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(5-hydroxypentyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(6-oxo-1H-pyridin-3-yl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]acetamide |
|---|---|
| PubChem CID | 159184796 |
| Molecular Formula | C144H115F24N33O10 |
| Molecular Weight | 2923.68 g/mol |
| Exact Mass | 2921.91 |
| IUPAC Name | N-(cyclohexylmethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;3,5-difluoro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-fluoro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-(4-hydroxycyclohexyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(5-hydroxypentyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(6-oxo-1H-pyridin-3-yl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]acetamide |
| SMILES | CC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cn1.O=C(NC1CCC(O)CC1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(NCC1CCCCC1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(NCCCCCO)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cc(F)cc(F)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(F)c1.O=C(Nc1ccc(=O)[nH]c1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1 |
| InChI | InChI=1S/C23H23F3N4O.C22H21F3N4O2.C21H12F5N5O.C21H13F4N5O.C21H21F3N4O2.C20H13F3N6O2.C16H12F3N5O/c24-23(25,26)21-13-20(18-7-4-12-27-15-18)29-30(21)19-10-8-17(9-11-19)22(31)28-14-16-5-2-1-3-6-16;23-22(24,25)20-12-19(15-2-1-11-26-13-15)28-29(20)17-7-3-14(4-8-17)21(31)27-16-5-9-18(30)10-6-16;22-14-6-13(7-15(23)8-14)20(32)29-16-3-4-19(28-11-16)31-18(21(24,25)26)9-17(30-31)12-2-1-5-27-10-12;22-15-5-1-3-13(9-15)20(31)28-16-6-7-19(27-12-16)30-18(21(23,24)25)10-17(29-30)14-4-2-8-26-11-14;22-21(23,24)19-13-18(16-5-4-10-25-14-16)27-28(19)17-8-6-15(7-9-17)20(30)26-11-2-1-3-12-29;21-20(22,23)16-8-15(12-2-1-7-24-9-12)28-29(16)17-5-3-13(10-25-17)19(31)27-14-4-6-18(30)26-11-14;1-10(25)22-15-5-4-12(9-21-15)24-13(11-3-2-6-20-8-11)7-14(23-24)16(17,18)19/h4,7-13,15-16H,1-3,5-6,14H2,(H,28,31);1-4,7-8,11-13,16,18,30H,5-6,9-10H2,(H,27,31);1-11H,(H,29,32);1-12H,(H,28,31);4-10,13-14,29H,1-3,11-12H2,(H,26,30);1-11H,(H,26,30)(H,27,31);2-9H,1H3,(H,21,22,25) |
| InChIKey | KNISRHKIBLZGBB-UHFFFAOYSA-N |
| XLogP | 29.31 |
| TPSA | 543.55 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 211 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2923.68 |
| LogP ≤ 5 | 29.31 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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