C161H230F9N21O9 — CID 159687829
azetidin-1-yl-(6-propan-2-yl-3-pyridinyl)methanone;3-tert-butyl-5-fluoropyridine;2-(difluoromethoxy)propane;N,N-dimethyl-5-propan-2-ylpyrazine-2-carboxamide;3-fluoro-5-methoxy-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-(trifluoromethoxy)propane (PubChem CID 159687829) has the molecular formula C161H230F9N21O9 and a molecular weight of 2774.73 g/mol. Its IUPAC name is azetidin-1-yl-(6-propan-2-yl-3-pyridinyl)methanone;3-tert-butyl-5-fluoropyridine;2-(difluoromethoxy)propane;N,N-dimethyl-5-propan-2-ylpyrazine-2-carboxamide;3-fluoro-5-methoxy-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-(trifluoromethoxy)propane.
| Compound Name | azetidin-1-yl-(6-propan-2-yl-3-pyridinyl)methanone;3-tert-butyl-5-fluoropyridine;2-(difluoromethoxy)propane;N,N-dimethyl-5-propan-2-ylpyrazine-2-carboxamide;3-fluoro-5-methoxy-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-(trifluoromethoxy)propane |
|---|---|
| PubChem CID | 159687829 |
| Molecular Formula | C161H230F9N21O9 |
| Molecular Weight | 2774.73 g/mol |
| Exact Mass | 2772.80 |
| IUPAC Name | azetidin-1-yl-(6-propan-2-yl-3-pyridinyl)methanone;3-tert-butyl-5-fluoropyridine;2-(difluoromethoxy)propane;N,N-dimethyl-5-propan-2-ylpyrazine-2-carboxamide;3-fluoro-5-methoxy-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;(6-propan-2-yl-3-pyridinyl)-pyrrolidin-1-ylmethanone;2-(trifluoromethoxy)propane |
| SMILES | CC(C)(C)c1cncc(F)c1.CC(C)OC(F)(F)F.CC(C)OC(F)F.CC(C)c1ccc(C(=O)N2CCC2)cn1.CC(C)c1ccc(C(=O)N2CCCC2)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1cccc(C(C)(C)O)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cnc(C(=O)N(C)C)cn1.CC(C)c1ncccc1F.COc1ccc(C(C)C)nc1.COc1cnc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)n1.Cc1cncc(C(C)C)c1.Cc1ncccc1C(C)C |
| InChI | InChI=1S/C13H18N2O.C12H16N2O.C12H18N2O.C11H17NO.C10H15N3O.C9H12FNO.C9H12FN.C9H13NO.4C9H13N.2C8H10FN.2C8H11N.C4H7F3O.C4H8F2O/c1-10(2)12-6-5-11(9-14-12)13(16)15-7-3-4-8-15;1-9(2)11-5-4-10(8-13-11)12(15)14-6-3-7-14;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)9-6-5-7-10(12-9)11(3,4)13;1-7(2)8-5-12-9(6-11-8)10(14)13(3)4;1-6(2)9-8(10)4-7(12-3)5-11-9;1-9(2,3)7-4-8(10)6-11-5-7;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-3(2)8-4(5,6)7;1-3(2)7-4(5)6/h5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-8,13H,1-4H3;5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4*4-7H,1-3H3;2*3-6H,1-2H3;2*3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3 |
| InChIKey | MWAINZCDXNORAQ-UHFFFAOYSA-N |
| XLogP | 40.07 |
| TPSA | 349.68 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2774.73 |
| LogP ≤ 5 | 40.07 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 27 |