About 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dichloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dichloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one (PubChem CID 158181757) has the molecular formula C167H215Cl2F2N15O15
and a molecular weight of 2781.55 g/mol. Its IUPAC name is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dichloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one.
Frequently Asked Questions
What is the IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dichloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one?
The IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dichloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one (CID 158181757) is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dichloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dichloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one?
The canonical SMILES for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dichloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one is CC(C)Oc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC(C4)CC3C5)c12.CC(C)Oc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(F)(C5)C4)c12.CC(C)Oc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccc(Cl)c(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(N3CCCCC3)c12.COc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c2c1C1CC1.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(F)(C5)C4)c2c1C.
What is the InChIKey of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dichloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one?
The InChIKey is FYRFWZZBDYOXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2.C25H32N2O3.C24H31FN2O2.C24H32N2O3.C24H32N2O2.C23H29FN2O.C21H24Cl2N2O2/c1-17(10-24(30)29-19-11-18-12-20(29)15-26(31,13-18)14-19)21-16-27-22-6-5-7-23(25(21)22)28-8-3-2-4-9-28;1-14(7-22(28)27-17-8-15-9-18(27)12-25(29,10-15)11-17)19-13-26-20-5-6-21(30-2)23(24(19)20)16-3-4-16;1-14(2)29-21-6-4-5-20-23(21)19(13-26-20)15(3)7-22(28)27-17-8-16-9-18(27)12-24(25,10-16)11-17;1-14(2)29-21-6-4-5-20-23(21)19(13-25-20)15(3)7-22(27)26-17-8-16-9-18(26)12-24(28,10-16)11-17;1-14(2)28-22-6-4-5-21-24(22)20(13-25-21)15(3)7-23(27)26-18-9-16-8-17(11-18)12-19(26)10-16;1-13-4-5-20-22(15(13)3)19(12-25-20)14(2)6-21(27)26-17-7-16-8-18(26)11-23(24,9-16)10-17;1-11(15-10-24-17-3-2-16(22)20(23)19(15)17)4-18(26)25-13-5-12-6-14(25)9-21(27,7-12)8-13/h5-7,16-20,27,31H,2-4,8-15H2,1H3;5-6,13-18,26,29H,3-4,7-12H2,1-2H3;4-6,13-18,26H,7-12H2,1-3H3;4-6,13-18,25,28H,7-12H2,1-3H3;4-6,13-19,25H,7-12H2,1-3H3;4-5,12,14,16-18,25H,6-11H2,1-3H3;2-3,10-14,24,27H,4-9H2,1H3.
What are the key properties of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dichloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one?
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dichloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one has a molecular weight of 2781.55 g/mol, XLogP of 33.96, 30 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dichloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 158181757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).