3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-cyclopropyl-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;2-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid

C152H179ClF2N12O17S — CID 158385603

About 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-cyclopropyl-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;2-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid

3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-cyclopropyl-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;2-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid (PubChem CID 158385603) has the molecular formula C152H179ClF2N12O17S and a molecular weight of 2551.69 g/mol. Its IUPAC name is 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-cyclopropyl-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;2-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-cyclopropyl-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;2-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid
• PubChem CID: 158385603
• Molecular Formula: C152H179ClF2N12O17S
• Molecular Weight: 2551.69 g/mol
• Exact Mass: 2549.29
• IUPAC Name: 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-cyclopropyl-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;2-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid
• SMILES: CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(Cl)c(OC3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(F)c(OC3CC3)c12.CC(CC(=O)N1C2CC3CC(C2)C(C(=O)O)C1C3)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1C2CC3CC(C2)C(C(=O)O)C1C3)c1c[nH]c2cccc(-c3ccco3)c12.CC(CC(=O)N1C2CC3CC(C2)C(C(=O)O)C1C3)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nc2ccc(C3CC3)cc2s1
• InChI: InChI=1S/C26H33ClN2O2.C26H27FN2O4.C26H33FN2O2.C26H28N2O4.C25H30N2O3.C23H28N2O2S/c1-15(19-13-28-21-7-6-20(27)24(23(19)21)31-18-4-5-18)8-22(30)29-16-9-25(2)10-17(29)12-26(3,11-16)14-25;1-13(18-12-28-19-4-2-3-17(25(18)19)21-5-6-22(27)33-21)7-23(30)29-16-9-14-8-15(11-16)24(26(31)32)20(29)10-14;1-15(19-13-28-21-7-6-20(27)24(23(19)21)31-18-4-5-18)8-22(30)29-16-9-25(2)10-17(29)12-26(3,11-16)14-25;1-14(19-13-27-20-5-2-4-18(25(19)20)22-6-3-7-32-22)8-23(29)28-17-10-15-9-16(12-17)24(26(30)31)21(28)11-15;1-13(19-12-26-20-4-2-3-18(24(19)20)15-5-6-15)7-22(28)27-17-9-14-8-16(11-17)23(25(29)30)21(27)10-14;1-13(22-24-19-5-4-16(15-2-3-15)9-20(19)28-22)6-21(26)25-17-7-14-8-18(25)12-23(27,10-14)11-17/h6-7,13,15-18,28H,4-5,8-12,14H2,1-3H3;2-6,12-16,20,24,28H,7-11H2,1H3,(H,31,32);6-7,13,15-18,28H,4-5,8-12,14H2,1-3H3;2-7,13-17,21,24,27H,8-12H2,1H3,(H,30,31);2-4,12-17,21,23,26H,5-11H2,1H3,(H,29,30);4-5,9,13-15,17-18,27H,2-3,6-8,10-12H2,1H3
• InChIKey: GWIGAHMIRXCRNB-UHFFFAOYSA-N
• XLogP: 31.73
• TPSA: 390.57 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2551.69
LogP ≤ 5	31.73
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-cyclopropyl-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;2-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid (CID 158385603) is 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-cyclopropyl-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;2-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid.

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

The canonical SMILES for 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-cyclopropyl-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;2-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid is CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(Cl)c(OC3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(F)c(OC3CC3)c12.CC(CC(=O)N1C2CC3CC(C2)C(C(=O)O)C1C3)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1C2CC3CC(C2)C(C(=O)O)C1C3)c1c[nH]c2cccc(-c3ccco3)c12.CC(CC(=O)N1C2CC3CC(C2)C(C(=O)O)C1C3)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nc2ccc(C3CC3)cc2s1.

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

The InChIKey is GWIGAHMIRXCRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O2.C26H27FN2O4.C26H33FN2O2.C26H28N2O4.C25H30N2O3.C23H28N2O2S/c1-15(19-13-28-21-7-6-20(27)24(23(19)21)31-18-4-5-18)8-22(30)29-16-9-25(2)10-17(29)12-26(3,11-16)14-25;1-13(18-12-28-19-4-2-3-17(25(18)19)21-5-6-22(27)33-21)7-23(30)29-16-9-14-8-15(11-16)24(26(31)32)20(29)10-14;1-15(19-13-28-21-7-6-20(27)24(23(19)21)31-18-4-5-18)8-22(30)29-16-9-25(2)10-17(29)12-26(3,11-16)14-25;1-14(19-13-27-20-5-2-4-18(25(19)20)22-6-3-7-32-22)8-23(29)28-17-10-15-9-16(12-17)24(26(30)31)21(28)11-15;1-13(19-12-26-20-4-2-3-18(24(19)20)15-5-6-15)7-22(28)27-17-9-14-8-16(11-17)23(25(29)30)21(27)10-14;1-13(22-24-19-5-4-16(15-2-3-15)9-20(19)28-22)6-21(26)25-17-7-14-8-18(25)12-23(27,10-14)11-17/h6-7,13,15-18,28H,4-5,8-12,14H2,1-3H3;2-6,12-16,20,24,28H,7-11H2,1H3,(H,31,32);6-7,13,15-18,28H,4-5,8-12,14H2,1-3H3;2-7,13-17,21,24,27H,8-12H2,1H3,(H,30,31);2-4,12-17,21,23,26H,5-11H2,1H3,(H,29,30);4-5,9,13-15,17-18,27H,2-3,6-8,10-12H2,1H3.

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

3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-cyclopropyl-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;2-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid has a molecular weight of 2551.69 g/mol, XLogP of 31.73, 29 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-cyclopropyl-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid;2-[3-[4-(furan-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decane-4-carboxylic acid is sourced from PubChem (CID 158385603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).