2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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

C141H170Cl3FN16O14 — CID 157280317

About 2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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 (PubChem CID 157280317) has the molecular formula C141H170Cl3FN16O14 and a molecular weight of 2438.37 g/mol. Its IUPAC name is 2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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.

Molecular Properties

• Compound Name: 2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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
• PubChem CID: 157280317
• Molecular Formula: C141H170Cl3FN16O14
• Molecular Weight: 2438.37 g/mol
• Exact Mass: 2435.21
• IUPAC Name: 2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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
• SMILES: CC(CC(=O)N1C2CC3CC1CC(C(=O)O)(C3)C2)c1c[nH]c2ccc(Cl)cc12.CC(CC(=O)N1C2CC3CC1CC(CC(=O)O)(C3)C2)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(CCC(=O)O)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(c1nn[nH]n1)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.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
• InChI: InChI=1S/C27H34N2O3.C25H30N6O.C23H27ClN2O3.C22H25ClN2O3.C22H27ClN2O2.C22H27FN2O2/c1-16(22-15-28-23-4-2-3-21(26(22)23)18-5-6-18)9-24(30)29-19-10-17-11-20(29)14-27(12-17,13-19)8-7-25(31)32;1-14(20-13-26-21-4-2-3-19(23(20)21)16-5-6-16)7-22(32)31-17-8-15-9-18(31)12-25(10-15,11-17)24-27-29-30-28-24;1-13(17-12-25-19-4-2-3-18(24)22(17)19)5-20(27)26-15-6-14-7-16(26)10-23(8-14,9-15)11-21(28)29;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/h2-4,15-20,28H,5-14H2,1H3,(H,31,32);2-4,13-18,26H,5-12H2,1H3,(H,27,28,29,30);2-4,12-16,25H,5-11H2,1H3,(H,28,29);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: AZOXSOBGNBVQJH-UHFFFAOYSA-N
• XLogP: 27.78
• TPSA: 423.42 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2438.37
LogP ≤ 5	27.78
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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?

The IUPAC name of 2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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 (CID 157280317) is 2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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.

What is the SMILES notation for 2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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?

The canonical SMILES for 2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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 is CC(CC(=O)N1C2CC3CC1CC(C(=O)O)(C3)C2)c1c[nH]c2ccc(Cl)cc12.CC(CC(=O)N1C2CC3CC1CC(CC(=O)O)(C3)C2)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(CCC(=O)O)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(c1nn[nH]n1)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.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.

What is the InChIKey of 2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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?

The InChIKey is AZOXSOBGNBVQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3.C25H30N6O.C23H27ClN2O3.C22H25ClN2O3.C22H27ClN2O2.C22H27FN2O2/c1-16(22-15-28-23-4-2-3-21(26(22)23)18-5-6-18)9-24(30)29-19-10-17-11-20(29)14-27(12-17,13-19)8-7-25(31)32;1-14(20-13-26-21-4-2-3-19(23(20)21)16-5-6-16)7-22(32)31-17-8-15-9-18(31)12-25(10-15,11-17)24-27-29-30-28-24;1-13(17-12-25-19-4-2-3-18(24)22(17)19)5-20(27)26-15-6-14-7-16(26)10-23(8-14,9-15)11-21(28)29;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/h2-4,15-20,28H,5-14H2,1H3,(H,31,32);2-4,13-18,26H,5-12H2,1H3,(H,27,28,29,30);2-4,12-16,25H,5-11H2,1H3,(H,28,29);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 2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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 has a molecular weight of 2438.37 g/mol, XLogP of 27.78, 27 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carboxylic acid;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic 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-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(2H-tetrazol-5-yl)-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 is sourced from PubChem (CID 157280317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).