C195H266ClF11N38O13S — CID 160724015
4-(5-chloro-2-propan-2-yl-3-pyridinyl)morpholine;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazole;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;(1-methyl-5-propan-2-ylpyrazol-3-yl)-(oxan-4-yl)methanone;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)pyridine;2-methyl-5-propan-2-ylpyridine-4-carboxamide;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;3-propan-2-ylpyridine-4-carboxamide;4-(6-propan-2-yl-3-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;5-propan-2-yl-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-pyridin-4-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 160724015) has the molecular formula C195H266ClF11N38O13S and a molecular weight of 3627.02 g/mol. Its IUPAC name is 4-(5-chloro-2-propan-2-yl-3-pyridinyl)morpholine;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazole;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;(1-methyl-5-propan-2-ylpyrazol-3-yl)-(oxan-4-yl)methanone;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)pyridine;2-methyl-5-propan-2-ylpyridine-4-carboxamide;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;3-propan-2-ylpyridine-4-carboxamide;4-(6-propan-2-yl-3-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;5-propan-2-yl-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-pyridin-4-yl-4-(trifluoromethyl)pyrimidine.
| Compound Name | 4-(5-chloro-2-propan-2-yl-3-pyridinyl)morpholine;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazole;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;(1-methyl-5-propan-2-ylpyrazol-3-yl)-(oxan-4-yl)methanone;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)pyridine;2-methyl-5-propan-2-ylpyridine-4-carboxamide;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;3-propan-2-ylpyridine-4-carboxamide;4-(6-propan-2-yl-3-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;5-propan-2-yl-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-pyridin-4-yl-4-(trifluoromethyl)pyrimidine |
|---|---|
| PubChem CID | 160724015 |
| Molecular Formula | C195H266ClF11N38O13S |
| Molecular Weight | 3627.02 g/mol |
| Exact Mass | 3624.06 |
| IUPAC Name | 4-(5-chloro-2-propan-2-yl-3-pyridinyl)morpholine;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazole;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;(1-methyl-5-propan-2-ylpyrazol-3-yl)-(oxan-4-yl)methanone;4-(1-methyl-5-propan-2-ylpyrazol-3-yl)pyridine;2-methyl-5-propan-2-ylpyridine-4-carboxamide;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;3-propan-2-ylpyridine-4-carboxamide;4-(6-propan-2-yl-3-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;5-propan-2-yl-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-pyridin-4-yl-4-(trifluoromethyl)pyrimidine |
| SMILES | CC(C)c1cc(-c2ccncc2)nn1C.CC(C)c1cc(C(=O)C2CCOCC2)nn1C.CC(C)c1cc(C(F)(F)F)nn1C.CC(C)c1cc(C2CC2)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)cn1.CC(C)c1cnc(-c2ccccn2)nc1C(F)(F)F.CC(C)c1cnc(-c2ccncc2)nc1C(F)(F)F.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.Cc1nc(-c2ccccn2)ncc1C(C)C.Cc1ncc(C(C)C)c(S(C)(=O)=O)n1 |
| InChI | InChI=1S/2C13H12F3N3.C13H19FN2O.C13H15N3.C13H20N2O2.C13H20N2O.C12H17ClN2O.C12H17FN2O.C12H17N3O.C12H15N3.C12H18N2O.C11H17NO.C10H14N2O.C10H16N2.C9H14N2O2S.C9H12N2O.C8H11F3N2/c1-8(2)10-7-18-12(9-3-5-17-6-4-9)19-11(10)13(14,15)16;1-8(2)9-7-18-12(10-5-3-4-6-17-10)19-11(9)13(14,15)16;1-9(2)13-12(14)7-10(8-15-13)16-5-3-11(17)4-6-16;1-9(2)11-8-15-13(16-10(11)3)12-6-4-5-7-14-12;1-9(2)12-8-11(14-15(12)3)13(16)10-4-6-17-7-5-10;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;1-9(2)12-8-11(14-15(12)3)10-4-6-13-7-5-10;1-10(2)12-4-3-11(9-13-12)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;1-7(2)10-6-9(8-4-5-8)11-12(10)3;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/h2*3-8H,1-2H3;7-9,11,17H,3-6H2,1-2H3;4-9H,1-3H3;8-10H,4-7H2,1-3H3;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);4-9H,1-3H3;3-4,9-10H,5-8H2,1-2H3;5-8,13H,1-4H3;4-6H,1-3H3,(H2,11,13);6-8H,4-5H2,1-3H3;5-6H,1-4H3;3-6H,1-2H3,(H2,10,12);4-5H,1-3H3 |
| InChIKey | RTLUIYYQXYZUEL-UHFFFAOYSA-N |
| XLogP | 39.26 |
| TPSA | 625.51 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 259 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3627.02 |
| LogP ≤ 5 | 39.26 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 48 |