C143H122F18N28O6 — CID 157141744
N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 157141744) has the molecular formula C143H122F18N28O6 and a molecular weight of 2670.70 g/mol. Its IUPAC name is N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide.
| Compound Name | N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide |
|---|---|
| PubChem CID | 157141744 |
| Molecular Formula | C143H122F18N28O6 |
| Molecular Weight | 2670.70 g/mol |
| Exact Mass | 2668.98 |
| IUPAC Name | N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide |
| SMILES | CCCCCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(NC1CCCCC1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(NCCCc1ccccc1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1.O=C(NCCc1ccccc1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1.O=C(NCc1ccccc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1 |
| InChI | InChI=1S/C30H24F3N5O.C25H21F3N4O.C24H19F3N4O.C22H16F3N5O.C21H20F3N5O.C21H22F3N5O/c31-30(32,33)27-18-26(23-12-7-16-34-19-23)37-38(27)28-14-13-24(20-36-28)29(39)35-17-15-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22;26-25(27,28)23-16-22(20-9-5-14-29-17-20)32(31-23)21-12-10-19(11-13-21)24(33)30-15-4-8-18-6-2-1-3-7-18;25-24(26,27)22-15-21(19-7-4-13-28-16-19)31(30-22)20-10-8-18(9-11-20)23(32)29-14-12-17-5-2-1-3-6-17;23-22(24,25)19-11-18(16-7-4-10-26-13-16)29-30(19)20-9-8-17(14-27-20)21(31)28-12-15-5-2-1-3-6-15;22-21(23,24)18-11-17(14-5-4-10-25-12-14)28-29(18)19-9-8-15(13-26-19)20(30)27-16-6-2-1-3-7-16;1-2-3-4-5-11-26-20(30)16-8-9-19(27-14-16)29-18(21(22,23)24)12-17(28-29)15-7-6-10-25-13-15/h1-14,16,18-20,25H,15,17H2,(H,35,39);1-3,5-7,9-14,16-17H,4,8,15H2,(H,30,33);1-11,13,15-16H,12,14H2,(H,29,32);1-11,13-14H,12H2,(H,28,31);4-5,8-13,16H,1-3,6-7H2,(H,27,30);6-10,12-14H,2-5,11H2,1H3,(H,26,30) |
| InChIKey | AKGNOFXEMXUUIK-UHFFFAOYSA-N |
| XLogP | 29.89 |
| TPSA | 410.42 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 195 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2670.70 |
| LogP ≤ 5 | 29.89 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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