3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid

C145H165Cl4FN12O15 — CID 159759672

About 3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid

3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid (PubChem CID 159759672) has the molecular formula C145H165Cl4FN12O15 and a molecular weight of 2476.79 g/mol. Its IUPAC name is 3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid.

Molecular Properties

• Compound Name: 3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid
• PubChem CID: 159759672
• Molecular Formula: C145H165Cl4FN12O15
• Molecular Weight: 2476.79 g/mol
• Exact Mass: 2473.13
• IUPAC Name: 3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid
• SMILES: CC(CC(=O)N1C2CC3CC1CC(C(=O)O)(C3)C2)c1c[nH]c2ccc(-c3ccccc3)cc12.CC(CC(=O)N1C2CC3CC1CC(C(=O)O)(C3)C2)c1c[nH]c2ccc(Cl)cc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cc(Cl)c(C3CC3)cc12.Cc1c(Cl)ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12.Cc1c(F)ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12.O=C(CC(c1ccccc1)c1c[nH]c2cc(Cl)ccc12)N1C2CC3CC1CC(C(=O)O)(C3)C2
• InChI: InChI=1S/C28H30N2O3.C27H27ClN2O3.C24H29ClN2O2.C22H25ClN2O3.C22H27ClN2O2.C22H27FN2O2/c1-17(24-16-29-25-8-7-20(12-23(24)25)19-5-3-2-4-6-19)9-26(31)30-21-10-18-11-22(30)15-28(13-18,14-21)27(32)33;28-18-6-7-21-23(15-29-24(21)10-18)22(17-4-2-1-3-5-17)11-25(31)30-19-8-16-9-20(30)14-27(12-16,13-19)26(32)33;1-13(20-12-26-22-8-21(25)18(7-19(20)22)15-2-3-15)4-23(28)27-16-5-14-6-17(27)11-24(29,9-14)10-16;1-12(18-11-24-19-3-2-14(23)7-17(18)19)4-20(26)25-15-5-13-6-16(25)10-22(8-13,9-15)21(27)28;2*1-12(17-11-24-19-4-3-18(23)13(2)21(17)19)5-20(26)25-15-6-14-7-16(25)10-22(27,8-14)9-15/h2-8,12,16-18,21-22,29H,9-11,13-15H2,1H3,(H,32,33);1-7,10,15-16,19-20,22,29H,8-9,11-14H2,(H,32,33);7-8,12-17,26,29H,2-6,9-11H2,1H3;2-3,7,11-13,15-16,24H,4-6,8-10H2,1H3,(H,27,28);2*3-4,11-12,14-16,24,27H,5-10H2,1-2H3
• InChIKey: NESGDHQIGIBUJE-UHFFFAOYSA-N
• XLogP: 29.36
• TPSA: 389.19 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2476.79
LogP ≤ 5	29.36
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid?

The IUPAC name of 3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid (CID 159759672) is 3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid.

What is the SMILES notation for 3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid?

The canonical SMILES for 3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid is CC(CC(=O)N1C2CC3CC1CC(C(=O)O)(C3)C2)c1c[nH]c2ccc(-c3ccccc3)cc12.CC(CC(=O)N1C2CC3CC1CC(C(=O)O)(C3)C2)c1c[nH]c2ccc(Cl)cc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cc(Cl)c(C3CC3)cc12.Cc1c(Cl)ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12.Cc1c(F)ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12.O=C(CC(c1ccccc1)c1c[nH]c2cc(Cl)ccc12)N1C2CC3CC1CC(C(=O)O)(C3)C2.

What is the InChIKey of 3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid?

The InChIKey is NESGDHQIGIBUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3.C27H27ClN2O3.C24H29ClN2O2.C22H25ClN2O3.C22H27ClN2O2.C22H27FN2O2/c1-17(24-16-29-25-8-7-20(12-23(24)25)19-5-3-2-4-6-19)9-26(31)30-21-10-18-11-22(30)15-28(13-18,14-21)27(32)33;28-18-6-7-21-23(15-29-24(21)10-18)22(17-4-2-1-3-5-17)11-25(31)30-19-8-16-9-20(30)14-27(12-16,13-19)26(32)33;1-13(20-12-26-22-8-21(25)18(7-19(20)22)15-2-3-15)4-23(28)27-16-5-14-6-17(27)11-24(29,9-14)10-16;1-12(18-11-24-19-3-2-14(23)7-17(18)19)4-20(26)25-15-5-13-6-16(25)10-22(8-13,9-15)21(27)28;2*1-12(17-11-24-19-4-3-18(23)13(2)21(17)19)5-20(26)25-15-6-14-7-16(25)10-22(27,8-14)9-15/h2-8,12,16-18,21-22,29H,9-11,13-15H2,1H3,(H,32,33);1-7,10,15-16,19-20,22,29H,8-9,11-14H2,(H,32,33);7-8,12-17,26,29H,2-6,9-11H2,1H3;2-3,7,11-13,15-16,24H,4-6,8-10H2,1H3,(H,27,28);2*3-4,11-12,14-16,24,27H,5-10H2,1-2H3.

What are the key properties of 3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid?

3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid has a molecular weight of 2476.79 g/mol, XLogP of 29.36, 24 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;3-(5-chloro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(5-fluoro-4-methyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(5-phenyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid is sourced from PubChem (CID 159759672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).