3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile

C144H166F5N13O14S — CID 158569705

About 3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile

3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (PubChem CID 158569705) has the molecular formula C144H166F5N13O14S and a molecular weight of 2430.05 g/mol. Its IUPAC name is 3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

Molecular Properties

• Compound Name: 3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• PubChem CID: 158569705
• Molecular Formula: C144H166F5N13O14S
• Molecular Weight: 2430.05 g/mol
• Exact Mass: 2428.23
• IUPAC Name: 3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• SMILES: CC(C)c1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(-c3ccc(F)s3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(-c3ccco3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(C(F)(F)F)c12.COc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)c2c1
• InChI: InChI=1S/C25H27FN2O3.C25H27FN2O2S.C25H28N2O3.C24H32N2O2.C23H27N3O2.C22H25F3N2O2/c2*1-14(7-23(29)28-16-8-15-9-17(28)12-25(30,10-15)11-16)19-13-27-20-4-2-3-18(24(19)20)21-5-6-22(26)31-21;1-15(8-23(28)27-17-9-16-10-18(27)13-25(29,11-16)12-17)20-14-26-21-5-2-4-19(24(20)21)22-6-3-7-30-22;1-14(2)19-5-4-6-21-23(19)20(13-25-21)15(3)7-22(27)26-17-8-16-9-18(26)12-24(28,10-16)11-17;1-14(20-12-25-21-4-3-18(28-2)8-19(20)21)5-22(27)26-16-6-15-7-17(26)11-23(9-15,10-16)13-24;1-12(16-11-26-18-4-2-3-17(20(16)18)22(23,24)25)5-19(28)27-14-6-13-7-15(27)10-21(29,8-13)9-14/h2*2-6,13-17,27,30H,7-12H2,1H3;2-7,14-18,26,29H,8-13H2,1H3;4-6,13-18,25,28H,7-12H2,1-3H3;3-4,8,12,14-17,25H,5-7,9-11H2,1-2H3;2-4,11-15,26,29H,5-10H2,1H3
• InChIKey: HRXTWGBEBOOGNO-UHFFFAOYSA-N
• XLogP: 28.85
• TPSA: 377.05 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2430.05
LogP ≤ 5	28.85
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The IUPAC name of 3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (CID 158569705) is 3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

What is the SMILES notation for 3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The canonical SMILES for 3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is CC(C)c1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(-c3ccc(F)s3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(-c3ccco3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(C(F)(F)F)c12.COc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)c2c1.

What is the InChIKey of 3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The InChIKey is HRXTWGBEBOOGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3.C25H27FN2O2S.C25H28N2O3.C24H32N2O2.C23H27N3O2.C22H25F3N2O2/c2*1-14(7-23(29)28-16-8-15-9-17(28)12-25(30,10-15)11-16)19-13-27-20-4-2-3-18(24(19)20)21-5-6-22(26)31-21;1-15(8-23(28)27-17-9-16-10-18(27)13-25(29,11-16)12-17)20-14-26-21-5-2-4-19(24(20)21)22-6-3-7-30-22;1-14(2)19-5-4-6-21-23(19)20(13-25-21)15(3)7-22(27)26-17-8-16-9-18(26)12-24(28,10-16)11-17;1-14(20-12-25-21-4-3-18(28-2)8-19(20)21)5-22(27)26-16-6-15-7-17(26)11-23(9-15,10-16)13-24;1-12(16-11-26-18-4-2-3-17(20(16)18)22(23,24)25)5-19(28)27-14-6-13-7-15(27)10-21(29,8-13)9-14/h2*2-6,13-17,27,30H,7-12H2,1H3;2-7,14-18,26,29H,8-13H2,1H3;4-6,13-18,25,28H,7-12H2,1-3H3;3-4,8,12,14-17,25H,5-7,9-11H2,1-2H3;2-4,11-15,26,29H,5-10H2,1H3.

What are the key properties of 3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile has a molecular weight of 2430.05 g/mol, XLogP of 28.85, 23 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-[4-(furan-2-yl)-1H-indol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethyl)-1H-indol-3-yl]butan-1-one;2-[3-(5-methoxy-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is sourced from PubChem (CID 158569705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).