2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one

C147H176BrCl3N12O15S — CID 158225300

About 2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one

2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one (PubChem CID 158225300) has the molecular formula C147H176BrCl3N12O15S and a molecular weight of 2569.42 g/mol. Its IUPAC name is 2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one.

Molecular Properties

• Compound Name: 2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one
• PubChem CID: 158225300
• Molecular Formula: C147H176BrCl3N12O15S
• Molecular Weight: 2569.42 g/mol
• Exact Mass: 2565.13
• IUPAC Name: 2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one
• SMILES: CC(CC(=O)N1C2CC3(O)CC1CC(O)(C2)C3)c1c[nH]c2ccc(Cl)c(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(CC(=O)O)(C3)C2)c1c[nH]c2ccc(Cl)c(Br)c12.CC(CC(=O)N1C2CC3CC1CC(CC(=O)O)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccc(C3CC3)c(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(-c3cccs3)c12.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c2c1C1CC1
• InChI: InChI=1S/C26H32N2O3.C25H28N2O2S.C25H32N2O2.C24H29ClN2O3.C24H29ClN2O2.C23H26BrClN2O3/c1-15(21-14-27-22-4-2-3-20(25(21)22)17-5-6-17)7-23(29)28-18-8-16-9-19(28)12-26(10-16,11-18)13-24(30)31;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;1-14-3-6-21-24(23(14)17-4-5-17)20(13-26-21)15(2)7-22(28)27-18-8-16-9-19(27)12-25(29,10-16)11-18;1-13(17-11-26-19-5-4-18(25)21(22(17)19)14-2-3-14)6-20(28)27-15-7-23(29)9-16(27)10-24(30,8-15)12-23;1-13(19-12-26-20-5-4-18(15-2-3-15)23(25)22(19)20)6-21(28)27-16-7-14-8-17(27)11-24(29,9-14)10-16;1-12(16-11-26-18-3-2-17(25)22(24)21(16)18)4-19(28)27-14-5-13-6-15(27)9-23(7-13,8-14)10-20(29)30/h2-4,14-19,27H,5-13H2,1H3,(H,30,31);2-7,14-18,26,29H,8-13H2,1H3;3,6,13,15-19,26,29H,4-5,7-12H2,1-2H3;4-5,11,13-16,26,29-30H,2-3,6-10,12H2,1H3;4-5,12-17,26,29H,2-3,6-11H2,1H3;2-3,11-15,26H,4-10H2,1H3,(H,29,30)
• InChIKey: GDSLPJISQTWQJA-UHFFFAOYSA-N
• XLogP: 30.24
• TPSA: 392.35 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2569.42
LogP ≤ 5	30.24
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one?

The IUPAC name of 2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one (CID 158225300) is 2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one.

What is the SMILES notation for 2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one?

The canonical SMILES for 2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one is CC(CC(=O)N1C2CC3(O)CC1CC(O)(C2)C3)c1c[nH]c2ccc(Cl)c(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(CC(=O)O)(C3)C2)c1c[nH]c2ccc(Cl)c(Br)c12.CC(CC(=O)N1C2CC3CC1CC(CC(=O)O)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccc(C3CC3)c(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(-c3cccs3)c12.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c2c1C1CC1.

What is the InChIKey of 2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one?

The InChIKey is GDSLPJISQTWQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3.C25H28N2O2S.C25H32N2O2.C24H29ClN2O3.C24H29ClN2O2.C23H26BrClN2O3/c1-15(21-14-27-22-4-2-3-20(25(21)22)17-5-6-17)7-23(29)28-18-8-16-9-19(28)12-26(10-16,11-18)13-24(30)31;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;1-14-3-6-21-24(23(14)17-4-5-17)20(13-26-21)15(2)7-22(28)27-18-8-16-9-19(27)12-25(29,10-16)11-18;1-13(17-11-26-19-5-4-18(25)21(22(17)19)14-2-3-14)6-20(28)27-15-7-23(29)9-16(27)10-24(30,8-15)12-23;1-13(19-12-26-20-5-4-18(15-2-3-15)23(25)22(19)20)6-21(28)27-16-7-14-8-17(27)11-24(29,9-14)10-16;1-12(16-11-26-18-3-2-17(25)22(24)21(16)18)4-19(28)27-14-5-13-6-15(27)9-23(7-13,8-14)10-20(29)30/h2-4,14-19,27H,5-13H2,1H3,(H,30,31);2-7,14-18,26,29H,8-13H2,1H3;3,6,13,15-19,26,29H,4-5,7-12H2,1-2H3;4-5,11,13-16,26,29-30H,2-3,6-10,12H2,1H3;4-5,12-17,26,29H,2-3,6-11H2,1H3;2-3,11-15,26H,4-10H2,1H3,(H,29,30).

What are the key properties of 2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one?

2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one has a molecular weight of 2569.42 g/mol, XLogP of 30.24, 27 rotatable bonds, 13 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-(4-bromo-5-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(5-chloro-4-cyclopropyl-1H-indol-3-yl)-1-(5,7-dihydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-5-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;3-(4-cyclopropyl-5-methyl-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-thiophen-2-yl-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 158225300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).