About 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one;3-(1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-cyclopropyl-1-(2-hydroxyethyl)indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one;3-(1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-cyclopropyl-1-(2-hydroxyethyl)indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one (PubChem CID 159746067) has the molecular formula C139H162F3N13O12S
and a molecular weight of 2295.96 g/mol. Its IUPAC name is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one;3-(1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-cyclopropyl-1-(2-hydroxyethyl)indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one.
Frequently Asked Questions
What is the IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one;3-(1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-cyclopropyl-1-(2-hydroxyethyl)indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one;3-(1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-cyclopropyl-1-(2-hydroxyethyl)indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one (CID 159746067) is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one;3-(1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-cyclopropyl-1-(2-hydroxyethyl)indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one;3-(1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-cyclopropyl-1-(2-hydroxyethyl)indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one;3-(1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-cyclopropyl-1-(2-hydroxyethyl)indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one is CC(CC(=O)N1C2CC3CC(C2)CC1C3)c1c[nH]c2ncccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cc(F)ccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1cn(CCO)c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nc2ccccc2s1.O=C(CC(c1ccc(F)cc1)c1c[nH]c2ccccc12)N1C2CC3CC1CC(O)(C3)C2.O=C(CC(c1ccccc1)c1c[nH]c2cccc(F)c12)N1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one;3-(1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-cyclopropyl-1-(2-hydroxyethyl)indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is NDBFMJZMEAIKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H27FN2O2.C26H34N2O3.C21H25FN2O2.C20H25N3O.C20H24N2O2S/c27-22-7-4-8-23-25(22)21(15-28-23)20(17-5-2-1-3-6-17)11-24(30)29-18-9-16-10-19(29)14-26(31,12-16)13-18;27-18-7-5-17(6-8-18)22(23-15-28-24-4-2-1-3-21(23)24)11-25(30)29-19-9-16-10-20(29)14-26(31,12-16)13-19;1-16(9-24(30)28-19-10-17-11-20(28)14-26(31,12-17)13-19)22-15-27(7-8-29)23-4-2-3-21(25(22)23)18-5-6-18;1-12(18-11-23-19-7-14(22)2-3-17(18)19)4-20(25)24-15-5-13-6-16(24)10-21(26,8-13)9-15;1-12(18-11-22-20-17(18)3-2-4-21-20)5-19(24)23-15-7-13-6-14(9-15)10-16(23)8-13;1-12(19-21-16-4-2-3-5-17(16)25-19)6-18(23)22-14-7-13-8-15(22)11-20(24,9-13)10-14/h1-8,15-16,18-20,28,31H,9-14H2;1-8,15-16,19-20,22,28,31H,9-14H2;2-4,15-20,29,31H,5-14H2,1H3;2-3,7,11-13,15-16,23,26H,4-6,8-10H2,1H3;2-4,11-16H,5-10H2,1H3,(H,21,22);2-5,12-15,24H,6-11H2,1H3.
What are the key properties of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one;3-(1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-cyclopropyl-1-(2-hydroxyethyl)indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one?
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one;3-(1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-cyclopropyl-1-(2-hydroxyethyl)indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 2295.96 g/mol, XLogP of 24.62, 23 rotatable bonds, 10 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-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one;3-(1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-cyclopropyl-1-(2-hydroxyethyl)indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one;3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 159746067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).