C207H316F3N37O4 — CID 157373147
2-tert-butyl-5-(3,3-difluoropiperidin-4-yl)oxypyridine;2-tert-butyl-5-[(4-fluoropiperidin-1-yl)methyl]pyridine;2-(6-tert-butylpyridazin-3-yl)oxy-N,N-dimethylethanamine;2-(6-tert-butyl-3-pyridinyl)-2-azaspiro[3.3]heptan-6-amine;N-(6-tert-butyl-3-pyridinyl)-2-azaspiro[3.3]heptan-6-amine;2-(6-tert-butyl-3-pyridinyl)-2-azaspiro[3.3]heptane;2-(6-tert-butyl-3-pyridinyl)-2,6-diazaspiro[3.3]heptane;6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane;2-(6-tert-butyl-3-pyridinyl)-2,7-diazaspiro[3.5]nonane;2-(6-tert-butyl-3-pyridinyl)-2,8-diazaspiro[3.5]nonane;2-(6-tert-butyl-3-pyridinyl)-2,5-diazaspiro[3.4]octane;2-(6-tert-butyl-3-pyridinyl)-2,7-diazaspiro[3.4]octane;7-(6-tert-butyl-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane;6-[(6-tert-butyl-3-pyridinyl)oxy]-2-azaspiro[3.3]heptane (PubChem CID 157373147) has the molecular formula C207H316F3N37O4 and a molecular weight of 3444.05 g/mol. Its IUPAC name is 2-tert-butyl-5-(3,3-difluoropiperidin-4-yl)oxypyridine;2-tert-butyl-5-[(4-fluoropiperidin-1-yl)methyl]pyridine;2-(6-tert-butylpyridazin-3-yl)oxy-N,N-dimethylethanamine;2-(6-tert-butyl-3-pyridinyl)-2-azaspiro[3.3]heptan-6-amine;N-(6-tert-butyl-3-pyridinyl)-2-azaspiro[3.3]heptan-6-amine;2-(6-tert-butyl-3-pyridinyl)-2-azaspiro[3.3]heptane;2-(6-tert-butyl-3-pyridinyl)-2,6-diazaspiro[3.3]heptane;6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane;2-(6-tert-butyl-3-pyridinyl)-2,7-diazaspiro[3.5]nonane;2-(6-tert-butyl-3-pyridinyl)-2,8-diazaspiro[3.5]nonane;2-(6-tert-butyl-3-pyridinyl)-2,5-diazaspiro[3.4]octane;2-(6-tert-butyl-3-pyridinyl)-2,7-diazaspiro[3.4]octane;7-(6-tert-butyl-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane;6-[(6-tert-butyl-3-pyridinyl)oxy]-2-azaspiro[3.3]heptane.
| Compound Name | 2-tert-butyl-5-(3,3-difluoropiperidin-4-yl)oxypyridine;2-tert-butyl-5-[(4-fluoropiperidin-1-yl)methyl]pyridine;2-(6-tert-butylpyridazin-3-yl)oxy-N,N-dimethylethanamine;2-(6-tert-butyl-3-pyridinyl)-2-azaspiro[3.3]heptan-6-amine;N-(6-tert-butyl-3-pyridinyl)-2-azaspiro[3.3]heptan-6-amine;2-(6-tert-butyl-3-pyridinyl)-2-azaspiro[3.3]heptane;2-(6-tert-butyl-3-pyridinyl)-2,6-diazaspiro[3.3]heptane;6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane;2-(6-tert-butyl-3-pyridinyl)-2,7-diazaspiro[3.5]nonane;2-(6-tert-butyl-3-pyridinyl)-2,8-diazaspiro[3.5]nonane;2-(6-tert-butyl-3-pyridinyl)-2,5-diazaspiro[3.4]octane;2-(6-tert-butyl-3-pyridinyl)-2,7-diazaspiro[3.4]octane;7-(6-tert-butyl-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane;6-[(6-tert-butyl-3-pyridinyl)oxy]-2-azaspiro[3.3]heptane |
|---|---|
| PubChem CID | 157373147 |
| Molecular Formula | C207H316F3N37O4 |
| Molecular Weight | 3444.05 g/mol |
| Exact Mass | 3441.56 |
| IUPAC Name | 2-tert-butyl-5-(3,3-difluoropiperidin-4-yl)oxypyridine;2-tert-butyl-5-[(4-fluoropiperidin-1-yl)methyl]pyridine;2-(6-tert-butylpyridazin-3-yl)oxy-N,N-dimethylethanamine;2-(6-tert-butyl-3-pyridinyl)-2-azaspiro[3.3]heptan-6-amine;N-(6-tert-butyl-3-pyridinyl)-2-azaspiro[3.3]heptan-6-amine;2-(6-tert-butyl-3-pyridinyl)-2-azaspiro[3.3]heptane;2-(6-tert-butyl-3-pyridinyl)-2,6-diazaspiro[3.3]heptane;6-(6-tert-butyl-3-pyridinyl)-1,6-diazaspiro[3.3]heptane;2-(6-tert-butyl-3-pyridinyl)-2,7-diazaspiro[3.5]nonane;2-(6-tert-butyl-3-pyridinyl)-2,8-diazaspiro[3.5]nonane;2-(6-tert-butyl-3-pyridinyl)-2,5-diazaspiro[3.4]octane;2-(6-tert-butyl-3-pyridinyl)-2,7-diazaspiro[3.4]octane;7-(6-tert-butyl-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane;6-[(6-tert-butyl-3-pyridinyl)oxy]-2-azaspiro[3.3]heptane |
| SMILES | CC(C)(C)c1ccc(CN2CCC(F)CC2)cn1.CC(C)(C)c1ccc(N2CC3(CC(N)C3)C2)cn1.CC(C)(C)c1ccc(N2CC3(CCC3)C2)cn1.CC(C)(C)c1ccc(N2CC3(CCCN3)C2)cn1.CC(C)(C)c1ccc(N2CC3(CCCNC3)C2)cn1.CC(C)(C)c1ccc(N2CC3(CCN3)C2)cn1.CC(C)(C)c1ccc(N2CC3(CCNC3)C2)cn1.CC(C)(C)c1ccc(N2CC3(CCNCC3)C2)cn1.CC(C)(C)c1ccc(N2CC3(CNC3)C2)cn1.CC(C)(C)c1ccc(N2CCC3(CC2)COC3)cn1.CC(C)(C)c1ccc(NC2CC3(CNC3)C2)cn1.CC(C)(C)c1ccc(OC2CC3(CNC3)C2)cn1.CC(C)(C)c1ccc(OC2CCNCC2(F)F)cn1.CN(C)CCOc1ccc(C(C)(C)C)nn1 |
| InChI | InChI=1S/2C16H25N3.C16H24N2O.C15H23FN2.4C15H23N3.C15H22N2O.C15H22N2.C14H20F2N2O.2C14H21N3.C12H21N3O/c1-15(2,3)14-6-5-13(9-18-14)19-11-16(12-19)7-4-8-17-10-16;1-15(2,3)14-5-4-13(10-18-14)19-11-16(12-19)6-8-17-9-7-16;1-15(2,3)14-5-4-13(10-17-14)18-8-6-16(7-9-18)11-19-12-16;1-15(2,3)14-5-4-12(10-17-14)11-18-8-6-13(16)7-9-18;1-14(2,3)13-6-5-12(9-16-13)18-10-15(11-18)7-4-8-17-15;1-14(2,3)13-5-4-12(8-17-13)18-9-15(10-18)6-11(16)7-15;1-14(2,3)13-5-4-11(8-17-13)18-12-6-15(7-12)9-16-10-15;1-14(2,3)13-5-4-12(8-17-13)18-10-15(11-18)6-7-16-9-15;1-14(2,3)13-5-4-11(8-17-13)18-12-6-15(7-12)9-16-10-15;1-14(2,3)13-6-5-12(9-16-13)17-10-15(11-17)7-4-8-15;1-13(2,3)11-5-4-10(8-18-11)19-12-6-7-17-9-14(12,15)16;1-13(2,3)12-5-4-11(6-16-12)17-9-14(10-17)7-15-8-14;1-13(2,3)12-5-4-11(8-15-12)17-9-14(10-17)6-7-16-14;1-12(2,3)10-6-7-11(14-13-10)16-9-8-15(4)5/h5-6,9,17H,4,7-8,10-12H2,1-3H3;4-5,10,17H,6-9,11-12H2,1-3H3;4-5,10H,6-9,11-12H2,1-3H3;4-5,10,13H,6-9,11H2,1-3H3;5-6,9,17H,4,7-8,10-11H2,1-3H3;4-5,8,11H,6-7,9-10,16H2,1-3H3;4-5,8,12,16,18H,6-7,9-10H2,1-3H3;4-5,8,16H,6-7,9-11H2,1-3H3;4-5,8,12,16H,6-7,9-10H2,1-3H3;5-6,9H,4,7-8,10-11H2,1-3H3;4-5,8,12,17H,6-7,9H2,1-3H3;4-6,15H,7-10H2,1-3H3;4-5,8,16H,6-7,9-10H2,1-3H3;6-7H,8-9H2,1-5H3 |
| InChIKey | BJZRWYLJYJLFNX-UHFFFAOYSA-N |
| XLogP | 34.87 |
| TPSA | 412.23 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 251 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3444.05 |
| LogP ≤ 5 | 34.87 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 41 |