C121H176ClF5N22O11S — CID 159244768
4-(5-chloro-2-propan-2-yl-3-pyridinyl)morpholine;4-(5-fluoro-6-propan-2-yl-3-pyridinyl)morpholine;1-(5-fluoro-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;2-methyl-4-methylsulfonyl-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyridine-4-carboxamide;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;3-propan-2-ylpyridine-4-carboxamide;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol (PubChem CID 159244768) has the molecular formula C121H176ClF5N22O11S and a molecular weight of 2277.39 g/mol. Its IUPAC name is 4-(5-chloro-2-propan-2-yl-3-pyridinyl)morpholine;4-(5-fluoro-6-propan-2-yl-3-pyridinyl)morpholine;1-(5-fluoro-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;2-methyl-4-methylsulfonyl-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyridine-4-carboxamide;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;3-propan-2-ylpyridine-4-carboxamide;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol.
| Compound Name | 4-(5-chloro-2-propan-2-yl-3-pyridinyl)morpholine;4-(5-fluoro-6-propan-2-yl-3-pyridinyl)morpholine;1-(5-fluoro-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;2-methyl-4-methylsulfonyl-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyridine-4-carboxamide;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;3-propan-2-ylpyridine-4-carboxamide;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol |
|---|---|
| PubChem CID | 159244768 |
| Molecular Formula | C121H176ClF5N22O11S |
| Molecular Weight | 2277.39 g/mol |
| Exact Mass | 2275.32 |
| IUPAC Name | 4-(5-chloro-2-propan-2-yl-3-pyridinyl)morpholine;4-(5-fluoro-6-propan-2-yl-3-pyridinyl)morpholine;1-(5-fluoro-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;2-methyl-4-methylsulfonyl-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyridine-4-carboxamide;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;3-propan-2-ylpyridine-4-carboxamide;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol |
| SMILES | CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1ccc(C(C)(C)O)cn1.CC(C)c1ccc(N2CCC(O)CC2)cn1.CC(C)c1ccc(N2CCNC(=O)C2)nc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1cnccc1C(N)=O.CC(C)c1ncc(Cl)cc1N1CCOCC1.CC(C)c1ncc(N2CCC(O)CC2)cc1F.CC(C)c1ncc(N2CCOCC2)cc1F.Cc1cc(C(N)=O)c(C(C)C)cn1.Cc1ncc(C(C)C)c(S(C)(=O)=O)n1 |
| InChI | InChI=1S/C13H19FN2O.C13H20N2O.C12H17ClN2O.C12H17FN2O.C12H17N3O.C12H18N2O.C11H17NO.C10H14N2O.C9H14N2O2S.C9H12N2O.C8H11F3N2/c1-9(2)13-12(14)7-10(8-15-13)16-5-3-11(17)4-6-16;1-10(2)13-4-3-11(9-14-13)15-7-5-12(16)6-8-15;1-9(2)12-11(7-10(13)8-14-12)15-3-5-16-6-4-15;1-9(2)12-11(13)7-10(8-14-12)15-3-5-16-6-4-15;1-9(2)10-3-4-11(14-7-10)15-6-5-13-12(16)8-15;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-8(2)10-6-5-9(7-12-10)11(3,4)13;1-6(2)9-5-12-7(3)4-8(9)10(11)13;1-6(2)8-5-10-7(3)11-9(8)14(4,12)13;1-6(2)8-5-11-4-3-7(8)9(10)12;1-5(2)6-4-7(8(9,10)11)12-13(6)3/h7-9,11,17H,3-6H2,1-2H3;3-4,9-10,12,16H,5-8H2,1-2H3;2*7-9H,3-6H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3,(H,13,16);3-4,9-10H,5-8H2,1-2H3;5-8,13H,1-4H3;4-6H,1-3H3,(H2,11,13);5-6H,1-4H3;3-6H,1-2H3,(H2,10,12);4-5H,1-3H3 |
| InChIKey | KUNSOLGUBXPKFZ-UHFFFAOYSA-N |
| XLogP | 21.75 |
| TPSA | 416.85 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2277.39 |
| LogP ≤ 5 | 21.75 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |