C163H199F3N26O17 — CID 157289443
1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-(5-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-(5-fluoro-3-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-(1,3-oxazol-2-yl)pyridin-2-one;3-(2-methylpropyl)-1-(1,3-oxazol-5-yl)pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-pyridin-2-ylpyridin-2-one;3-(2-methylpropyl)-1-pyridin-3-ylpyridin-2-one (PubChem CID 157289443) has the molecular formula C163H199F3N26O17 and a molecular weight of 2851.54 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-(5-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-(5-fluoro-3-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-(1,3-oxazol-2-yl)pyridin-2-one;3-(2-methylpropyl)-1-(1,3-oxazol-5-yl)pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-pyridin-2-ylpyridin-2-one;3-(2-methylpropyl)-1-pyridin-3-ylpyridin-2-one.
| Compound Name | 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-(5-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-(5-fluoro-3-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-(1,3-oxazol-2-yl)pyridin-2-one;3-(2-methylpropyl)-1-(1,3-oxazol-5-yl)pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-pyridin-2-ylpyridin-2-one;3-(2-methylpropyl)-1-pyridin-3-ylpyridin-2-one |
|---|---|
| PubChem CID | 157289443 |
| Molecular Formula | C163H199F3N26O17 |
| Molecular Weight | 2851.54 g/mol |
| Exact Mass | 2849.55 |
| IUPAC Name | 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-(5-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;1-(5-fluoro-3-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-(1,3-oxazol-2-yl)pyridin-2-one;3-(2-methylpropyl)-1-(1,3-oxazol-5-yl)pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-pyridin-2-ylpyridin-2-one;3-(2-methylpropyl)-1-pyridin-3-ylpyridin-2-one |
| SMILES | CC(C)Cc1cccn(-c2ccc(F)cn2)c1=O.CC(C)Cc1cccn(-c2ccccn2)c1=O.CC(C)Cc1cccn(-c2cccnc2)c1=O.CC(C)Cc1cccn(-c2cncc(F)c2)c1=O.CC(C)Cc1cccn(-c2cnco2)c1=O.CC(C)Cc1cccn(-c2cnn(CC3CCOC3)c2)c1=O.CC(C)Cc1cccn(-c2cnn(CC3CCOCC3)c2)c1=O.CC(C)Cc1cccn(-c2cnn(C[C@@H]3CCOC3)c2)c1=O.CC(C)Cc1cccn(-c2cnn(C[C@H]3CCOC3)c2)c1=O.CC(C)Cc1cccn(-c2ncccc2F)c1=O.CC(C)Cc1cccn(-c2ncco2)c1=O |
| InChI | InChI=1S/C18H25N3O2.3C17H23N3O2.3C14H15FN2O.2C14H16N2O.2C12H14N2O2/c1-14(2)10-16-4-3-7-21(18(16)22)17-11-19-20(13-17)12-15-5-8-23-9-6-15;3*1-13(2)8-15-4-3-6-20(17(15)21)16-9-18-19(11-16)10-14-5-7-22-12-14;1-10(2)9-11-5-4-8-17(14(11)18)13-12(15)6-3-7-16-13;1-10(2)8-11-4-3-7-17(14(11)18)13-6-5-12(15)9-16-13;1-10(2)6-11-4-3-5-17(14(11)18)13-7-12(15)8-16-9-13;1-11(2)9-12-5-4-8-16(14(12)17)13-6-3-7-15-10-13;1-11(2)10-12-6-5-9-16(14(12)17)13-7-3-4-8-15-13;1-9(2)8-10-4-3-6-14(11(10)15)12-13-5-7-16-12;1-9(2)6-10-4-3-5-14(12(10)15)11-7-13-8-16-11/h3-4,7,11,13-15H,5-6,8-10,12H2,1-2H3;3*3-4,6,9,11,13-14H,5,7-8,10,12H2,1-2H3;3-8,10H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-5,7-10H,6H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-9,11H,10H2,1-2H3;3-7,9H,8H2,1-2H3;3-5,7-9H,6H2,1-2H3/t;2*14-;;;;;;;;/m.10......../s1 |
| InChIKey | BAQAVJVYXXUEIQ-QLBLJKHMSA-N |
| XLogP | 26.09 |
| TPSA | 466.71 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 209 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2851.54 |
| LogP ≤ 5 | 26.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 43 |