C350H534F7N25O43 — CID 157343295
bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]-4-methylpentan-3-one);1-[3-fluoro-5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;(E)-1-[2-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[2-fluoro-5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[3-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpent-1-en-3-one;(E)-1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[3-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]butan-2-one;bis(3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]butan-2-one);bis(4-methyl-1-[2-[3-(propan-2-ylamino)cyclobutyl]oxy-4-pyridinyl]pentan-3-one);bis(4-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pentan-3-one);2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-7-[3-(propan-2-ylamino)propoxy]heptan-3-one;3-methyl-1-[3-(1-propan-2-ylazetidin-3-yl)oxypropoxy]butan-2-one;(2S)-N-propan-2-yl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine (PubChem CID 157343295) has the molecular formula C350H534F7N25O43 and a molecular weight of 5913.24 g/mol. Its IUPAC name is bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]-4-methylpentan-3-one);1-[3-fluoro-5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;(E)-1-[2-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[2-fluoro-5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[3-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpent-1-en-3-one;(E)-1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[3-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]butan-2-one;bis(3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]butan-2-one);bis(4-methyl-1-[2-[3-(propan-2-ylamino)cyclobutyl]oxy-4-pyridinyl]pentan-3-one);bis(4-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pentan-3-one);2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-7-[3-(propan-2-ylamino)propoxy]heptan-3-one;3-methyl-1-[3-(1-propan-2-ylazetidin-3-yl)oxypropoxy]butan-2-one;(2S)-N-propan-2-yl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine.
| Compound Name | bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]-4-methylpentan-3-one);1-[3-fluoro-5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;(E)-1-[2-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[2-fluoro-5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[3-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpent-1-en-3-one;(E)-1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[3-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]butan-2-one;bis(3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]butan-2-one);bis(4-methyl-1-[2-[3-(propan-2-ylamino)cyclobutyl]oxy-4-pyridinyl]pentan-3-one);bis(4-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pentan-3-one);2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-7-[3-(propan-2-ylamino)propoxy]heptan-3-one;3-methyl-1-[3-(1-propan-2-ylazetidin-3-yl)oxypropoxy]butan-2-one;(2S)-N-propan-2-yl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine |
|---|---|
| PubChem CID | 157343295 |
| Molecular Formula | C350H534F7N25O43 |
| Molecular Weight | 5913.24 g/mol |
| Exact Mass | 5909.03 |
| IUPAC Name | bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]-4-methylpentan-3-one);1-[3-fluoro-5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;(E)-1-[2-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[2-fluoro-5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;(E)-1-[3-fluoro-5-[1-(propan-2-ylamino)propan-2-yloxy]phenyl]-4-methylpent-1-en-3-one;(E)-1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[3-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]butan-2-one;bis(3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxyphenyl]butan-2-one);bis(4-methyl-1-[2-[3-(propan-2-ylamino)cyclobutyl]oxy-4-pyridinyl]pentan-3-one);bis(4-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pentan-3-one);2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-7-[3-(propan-2-ylamino)propoxy]heptan-3-one;3-methyl-1-[3-(1-propan-2-ylazetidin-3-yl)oxypropoxy]butan-2-one;(2S)-N-propan-2-yl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine |
| SMILES | CC(C)C(=O)COCCCOC1CN(C(C)C)C1.CC(C)NC1CC(Oc2cc(CCC(=O)C(C)C)ccn2)C1.CC(C)NC1CC(Oc2cc(CCC(=O)C(C)C)ccn2)C1.CC(C)NC1CC(Oc2cc(F)cc(CCC(=O)C(C)C)c2)C1.CC(C)NC1CC(Oc2cc(F)cc(CCC(=O)C(C)C)c2)C1.CC(C)NC1CC(Oc2ccc(CC(=O)C(C)C)cc2)C1.CC(C)NC1CC(Oc2ccc(CC(=O)C(C)C)cc2)C1.CC(C)NC1CC(Oc2ccc(CCC(=O)C(C)C)cn2)C1.CC(C)NC1CC(Oc2ccc(CCC(=O)C(C)C)cn2)C1.CC(C)NC1CC(Oc2ccc3oc(C(=O)C(C)C)cc3c2)C1.CC(C)NC1CC(Oc2cccc(CC(=O)C(C)C)c2)C1.CC(C)NCC(C)Oc1cc(F)cc(/C=C/C(=O)C(C)C)c1.CC(C)NCCCOCCCCC(=O)C(C)C.CC(C)NCCCOc1ccc2cc(C(=O)C(C)C)oc2c1.CC(C)NCCOc1ccc2oc(C(=O)C(C)C)cc2c1.CC(C)NC[C@@H](C)Oc1cc(F)cc(/C=C/C(=O)C(C)C)c1.CC(C)NC[C@@H](C)Oc1ccc(F)c(/C=C/C(=O)C(C)C)c1.CC(C)NC[C@H](C)Oc1cc(C(C)C)ccn1.CC(C)NC[C@H](C)Oc1cc(F)cc(CCC(=O)C(C)C)c1.CC(C)NC[C@H](C)Oc1ccc(F)c(/C=C/C(=O)C(C)C)c1 |
| InChI | InChI=1S/2C19H28FNO2.C19H25NO3.2C18H26FNO2.C18H28FNO2.2C18H26FNO2.4C18H28N2O2.C18H25NO3.3C18H27NO2.C17H23NO3.C14H24N2O.C14H27NO3.C14H29NO2/c2*1-12(2)19(22)6-5-14-7-15(20)9-17(8-14)23-18-10-16(11-18)21-13(3)4;1-11(2)19(21)18-8-13-7-15(5-6-17(13)23-18)22-16-9-14(10-16)20-12(3)4;2*1-12(2)18(21)9-6-15-10-16(7-8-17(15)19)22-14(5)11-20-13(3)4;3*1-12(2)18(21)7-6-15-8-16(19)10-17(9-15)22-14(5)11-20-13(3)4;2*1-12(2)17(21)7-5-14-6-8-18(19-11-14)22-16-9-15(10-16)20-13(3)4;2*1-12(2)17(21)6-5-14-7-8-19-18(9-14)22-16-10-15(11-16)20-13(3)4;1-12(2)18(20)17-10-14-6-7-15(11-16(14)22-17)21-9-5-8-19-13(3)4;2*1-12(2)18(20)9-14-5-7-16(8-6-14)21-17-10-15(11-17)19-13(3)4;1-12(2)18(20)9-14-6-5-7-16(8-14)21-17-10-15(11-17)19-13(3)4;1-11(2)17(19)16-10-13-9-14(5-6-15(13)21-16)20-8-7-18-12(3)4;1-10(2)13-6-7-15-14(8-13)17-12(5)9-16-11(3)4;1-11(2)14(16)10-17-6-5-7-18-13-8-15(9-13)12(3)4;1-12(2)14(16)8-5-6-10-17-11-7-9-15-13(3)4/h2*7-9,12-13,16,18,21H,5-6,10-11H2,1-4H3;5-8,11-12,14,16,20H,9-10H2,1-4H3;2*6-10,12-14,20H,11H2,1-5H3;8-10,12-14,20H,6-7,11H2,1-5H3;2*6-10,12-14,20H,11H2,1-5H3;2*6,8,11-13,15-16,20H,5,7,9-10H2,1-4H3;2*7-9,12-13,15-16,20H,5-6,10-11H2,1-4H3;6-7,10-13,19H,5,8-9H2,1-4H3;3*5-8,12-13,15,17,19H,9-11H2,1-4H3;5-6,9-12,18H,7-8H2,1-4H3;6-8,10-12,16H,9H2,1-5H3;11-13H,5-10H2,1-4H3;12-13,15H,5-11H2,1-4H3/b;;;2*9-6+;;2*7-6+;;;;;;;;;;;;/t;;;4*14-;;;;;;;;;;;12-;;/m...1001..........0../s1 |
| InChIKey | BGQRMRBLAYRADO-CFSGAVSXSA-N |
| XLogP | 68.87 |
| TPSA | 853.84 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 68 |
| Rotatable Bonds | 157 |
| Heavy Atoms | 425 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5913.24 |
| LogP ≤ 5 | 68.87 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 68 |