C126H135F5N12O6 — CID 158277324
2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine (PubChem CID 158277324) has the molecular formula C126H135F5N12O6 and a molecular weight of 2008.53 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine.
| Compound Name | 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine |
|---|---|
| PubChem CID | 158277324 |
| Molecular Formula | C126H135F5N12O6 |
| Molecular Weight | 2008.53 g/mol |
| Exact Mass | 2007.05 |
| IUPAC Name | 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine |
| SMILES | CC(C)c1ncccc1-c1cccc(C(=O)CC2CC2)c1.CC(C)c1ncccc1-c1cccc(OC(F)(F)F)c1.CC(C)c1ncccc1-c1cnc2c(c1)C=CC2.CNC(=O)c1cc(F)cc(-c2cccnc2C(C)C)c1.COC(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.COc1ccc(-c2cccnc2C(C)C)cn1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ccc(-c2cccnc2C(C)C)cc1 |
| InChI | InChI=1S/C19H21NO.C16H17FN2O.C16H18N2O2.C16H16N2.C15H14F3NO.C15H16FN.C15H17N.C14H16N2O/c1-13(2)19-17(7-4-10-20-19)15-5-3-6-16(12-15)18(21)11-14-8-9-14;1-10(2)15-14(5-4-6-19-15)11-7-12(16(20)18-3)9-13(17)8-11;1-11(2)15-14(5-4-10-17-15)12-6-8-13(9-7-12)18-16(19)20-3;1-11(2)16-14(6-4-8-17-16)13-9-12-5-3-7-15(12)18-10-13;1-10(2)14-13(7-4-8-19-14)11-5-3-6-12(9-11)20-15(16,17)18;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-12(5-4-8-15-14)11-6-7-13(17-3)16-9-11/h3-7,10,12-14H,8-9,11H2,1-2H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);3-6,8-11H,7H2,1-2H3;3-10H,1-2H3;4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3 |
| InChIKey | GJTPCYJVGMJTKZ-UHFFFAOYSA-N |
| XLogP | 32.66 |
| TPSA | 231.86 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 149 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2008.53 |
| LogP ≤ 5 | 32.66 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 16 |