C163H236F7N23O5 — CID 159735126
2-(azetidin-1-yl)-6-propan-2-ylpyridine;bis(3,5-difluoro-2-propan-2-ylpyridine);2-(2,2-difluoropropoxy)-6-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-2-amine;3-fluoro-2-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.3]heptane;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;(2S)-1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine (PubChem CID 159735126) has the molecular formula C163H236F7N23O5 and a molecular weight of 2730.82 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-6-propan-2-ylpyridine;bis(3,5-difluoro-2-propan-2-ylpyridine);2-(2,2-difluoropropoxy)-6-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-2-amine;3-fluoro-2-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.3]heptane;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;(2S)-1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine.
| Compound Name | 2-(azetidin-1-yl)-6-propan-2-ylpyridine;bis(3,5-difluoro-2-propan-2-ylpyridine);2-(2,2-difluoropropoxy)-6-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-2-amine;3-fluoro-2-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.3]heptane;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;(2S)-1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine |
|---|---|
| PubChem CID | 159735126 |
| Molecular Formula | C163H236F7N23O5 |
| Molecular Weight | 2730.82 g/mol |
| Exact Mass | 2728.88 |
| IUPAC Name | 2-(azetidin-1-yl)-6-propan-2-ylpyridine;bis(3,5-difluoro-2-propan-2-ylpyridine);2-(2,2-difluoropropoxy)-6-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-2-amine;3-fluoro-2-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-(6-propan-2-yl-2-pyridinyl)-2-azaspiro[3.3]heptane;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;(2S)-1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine |
| SMILES | CC(C)c1cc(N2CCOCC2)ccn1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N(C)C)n1.CC(C)c1cccc(N2CC3(CCC3)C2)n1.CC(C)c1cccc(N2CCC2)n1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1cccc(OCC(C)(F)F)n1.CC(C)c1ncc(F)cc1F.CC(C)c1ncc(F)cc1F.CC(C)c1ncccc1F.CC[C@H](O)COc1cccc(C(C)C)n1.Cc1cccnc1C(C)C.Cc1ccnc(C(C)C)c1 |
| InChI | InChI=1S/C14H20N2.C14H22N2.C13H20N2.2C12H18N2O.C12H18N2.C12H19NO2.C11H15F2NO.C11H16N2.C10H16N2.2C9H13N.2C8H9F2N.C8H10FN/c1-11(2)12-5-3-6-13(15-12)16-9-14(10-16)7-4-8-14;1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-10(2)12-9-11(3-4-13-12)14-5-7-15-8-6-14;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-8(2)9-5-4-6-10(14-9)15-7-11(3,12)13;1-9(2)10-5-3-6-11(12-10)13-7-4-8-13;1-8(2)9-6-5-7-10(11-9)12(3)4;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-8(3)5-4-6-10-9;2*1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)8-7(9)4-3-5-10-8/h3,5-6,11H,4,7-10H2,1-2H3;6-8,12H,3-5,9-11H2,1-2H3;5-6,9,11H,3-4,7-8,10H2,1-2H3;2*3-4,9-10H,5-8H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-7,9-10,14H,4,8H2,1-3H3;4-6,8H,7H2,1-3H3;3,5-6,9H,4,7-8H2,1-2H3;5-8H,1-4H3;2*4-7H,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3/t;;;;;;10-;;;;;;;;/m......0......../s1 |
| InChIKey | NBSVMRRMPXUWEZ-XQNDXJBVSA-N |
| XLogP | 38.69 |
| TPSA | 276.42 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 198 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2730.82 |
| LogP ≤ 5 | 38.69 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 28 |