C111H172F2N24O17 — CID 162109264
5-(1-tert-butylpyrrolidin-3-yl)oxy-2-methoxypyridine;2-(1-tert-butylpyrrolidin-3-yl)oxypyrazine;3-fluoro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrazine;3-methoxy-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrazine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine (PubChem CID 162109264) has the molecular formula C111H172F2N24O17 and a molecular weight of 2152.74 g/mol. Its IUPAC name is 5-(1-tert-butylpyrrolidin-3-yl)oxy-2-methoxypyridine;2-(1-tert-butylpyrrolidin-3-yl)oxypyrazine;3-fluoro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrazine;3-methoxy-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrazine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine.
| Compound Name | 5-(1-tert-butylpyrrolidin-3-yl)oxy-2-methoxypyridine;2-(1-tert-butylpyrrolidin-3-yl)oxypyrazine;3-fluoro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrazine;3-methoxy-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrazine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine |
|---|---|
| PubChem CID | 162109264 |
| Molecular Formula | C111H172F2N24O17 |
| Molecular Weight | 2152.74 g/mol |
| Exact Mass | 2151.33 |
| IUPAC Name | 5-(1-tert-butylpyrrolidin-3-yl)oxy-2-methoxypyridine;2-(1-tert-butylpyrrolidin-3-yl)oxypyrazine;3-fluoro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrazine;3-methoxy-6-(1-propan-2-ylazetidin-3-yl)oxypyridazine;2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyrimidine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrazine;2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxypyrimidine |
| SMILES | CC(C)(C)N1CCC(Oc2cnccn2)C1.COc1ccc(OC2CCN(C(C)(C)C)C2)cn1.COc1ccc(OC2CN(C(C)C)C2)nn1.COc1cnc(OC2CCN(C(C)C)CC2)cn1.COc1cnc(OC2CN(C(C)C)C2)cn1.COc1ncc(OC2CCN(C(C)C)CC2)cc1F.COc1ncc(OC2CCN(C(C)C)CC2)cn1.COc1ncc(OC2CN(C(C)C)C2)cc1F.COc1ncc(OC2CN(C(C)C)C2)cn1 |
| InChI | InChI=1S/C14H21FN2O2.C14H22N2O2.2C13H21N3O2.C12H17FN2O2.C12H19N3O.3C11H17N3O2/c1-10(2)17-6-4-11(5-7-17)19-12-8-13(15)14(18-3)16-9-12;1-14(2,3)16-8-7-12(10-16)18-11-5-6-13(17-4)15-9-11;1-10(2)16-6-4-11(5-7-16)18-13-9-14-12(17-3)8-15-13;1-10(2)16-6-4-11(5-7-16)18-12-8-14-13(17-3)15-9-12;1-8(2)15-6-10(7-15)17-9-4-11(13)12(16-3)14-5-9;1-12(2,3)15-7-4-10(9-15)16-11-8-13-5-6-14-11;1-8(2)14-6-9(7-14)16-11-5-12-10(15-3)4-13-11;1-8(2)14-6-10(7-14)16-9-4-12-11(15-3)13-5-9;1-8(2)14-6-9(7-14)16-11-5-4-10(15-3)12-13-11/h8-11H,4-7H2,1-3H3;5-6,9,12H,7-8,10H2,1-4H3;2*8-11H,4-7H2,1-3H3;4-5,8,10H,6-7H2,1-3H3;5-6,8,10H,4,7,9H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;4-5,8,10H,6-7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3 |
| InChIKey | ZFXXTYMBKMIZNQ-UHFFFAOYSA-N |
| XLogP | 14.60 |
| TPSA | 379.42 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 154 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2152.74 |
| LogP ≤ 5 | 14.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 41 |