About 3-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-fluoro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-fluoro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
3-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-fluoro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-fluoro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (PubChem CID 158129118) has the molecular formula C188H228Cl4F4N20O20
and a molecular weight of 3305.82 g/mol. Its IUPAC name is 3-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-fluoro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-fluoro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 3-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-fluoro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-fluoro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?
The IUPAC name of 3-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-fluoro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-fluoro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (CID 158129118) is 3-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-fluoro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-fluoro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.
What is the SMILES notation for 3-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-fluoro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-fluoro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?
The canonical SMILES for 3-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-fluoro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-fluoro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is COc1ccc2[nH]cc(C(C)(C)CC(=O)N3C4CC5(C)CC3CC(C#N)(C4)C5)c2c1Cl.COc1ccc2[nH]cc(C(C)(C)CC(=O)N3C4CC5(C)CC3CC(C#N)(C4)C5)c2c1F.COc1ccc2[nH]cc(C(C)(C)CC(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1Cl.COc1ccc2[nH]cc(C(C)(C)CC(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1F.COc1ccc2[nH]cc(C(C)C(=O)N3C4CC5(C)CC3CC(C#N)(C4)C5)c2c1Cl.COc1ccc2[nH]cc(C(C)C(=O)N3C4CC5(C)CC3CC(C#N)(C4)C5)c2c1F.COc1ccc2[nH]cc(C(C)C(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1Cl.COc1ccc2[nH]cc(C(C)C(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1F.
What is the InChIKey of 3-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-fluoro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-fluoro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?
The InChIKey is FSNZDOCGMIWKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2.C25H30FN3O2.C24H31ClN2O3.C24H31FN2O3.C23H26ClN3O2.C23H26FN3O2.C22H27ClN2O3.C22H27FN2O3/c2*1-23(2,17-12-28-18-5-6-19(31-4)22(26)21(17)18)11-20(30)29-15-7-24(3)8-16(29)10-25(9-15,13-24)14-27;2*1-22(2,16-12-26-17-5-6-18(30-4)21(25)20(16)17)11-19(28)27-14-7-23(3)8-15(27)10-24(29,9-14)13-23;2*1-13(16-10-26-17-4-5-18(29-3)20(24)19(16)17)21(28)27-14-6-22(2)7-15(27)9-23(8-14,11-22)12-25;2*1-12(15-10-24-16-4-5-17(28-3)19(23)18(15)16)20(26)25-13-6-21(2)7-14(25)9-22(27,8-13)11-21/h2*5-6,12,15-16,28H,7-11,13H2,1-4H3;2*5-6,12,14-15,26,29H,7-11,13H2,1-4H3;2*4-5,10,13-15,26H,6-9,11H2,1-3H3;2*4-5,10,12-14,24,27H,6-9,11H2,1-3H3.
What are the key properties of 3-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-fluoro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-fluoro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?
3-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-fluoro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-fluoro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile has a molecular weight of 3305.82 g/mol, XLogP of 37.14, 28 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-chloro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-chloro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-(4-fluoro-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[3-(4-fluoro-5-methoxy-1H-indol-3-yl)-3-methylbutanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-(4-fluoro-5-methoxy-1H-indol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is sourced from PubChem (CID 158129118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).