4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1,3-dihydroindol-2-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1,3-dihydroindol-2-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-(5-fluoro-7-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(5-methyl-4-thiophen-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one

C148H179ClF2N12O17S — CID 157147246

About 4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1,3-dihydroindol-2-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1,3-dihydroindol-2-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-(5-fluoro-7-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(5-methyl-4-thiophen-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one

4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1,3-dihydroindol-2-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1,3-dihydroindol-2-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-(5-fluoro-7-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(5-methyl-4-thiophen-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one (PubChem CID 157147246) has the molecular formula C148H179ClF2N12O17S and a molecular weight of 2503.64 g/mol. Its IUPAC name is 4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1,3-dihydroindol-2-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1,3-dihydroindol-2-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-(5-fluoro-7-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(5-methyl-4-thiophen-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one.

Molecular Properties

• Compound Name: 4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1,3-dihydroindol-2-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1,3-dihydroindol-2-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-(5-fluoro-7-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(5-methyl-4-thiophen-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
• PubChem CID: 157147246
• Molecular Formula: C148H179ClF2N12O17S
• Molecular Weight: 2503.64 g/mol
• Exact Mass: 2501.29
• IUPAC Name: 4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1,3-dihydroindol-2-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1,3-dihydroindol-2-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-(5-fluoro-7-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(5-methyl-4-thiophen-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
• SMILES: CC(C)Oc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c12.CC(CC(=O)N1C2CC3(O)CC1CC(F)(C2)C3)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(CC(=O)O)(C3)C2)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)C1C(=O)Nc2cccc(C3CC3)c21.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c2c1-c1cccs1.Cc1ccc2c(c1Cl)C(C(C)CC(=O)N1C3CC4CC1CC(O)(C4)C3)C(=O)N2
• InChI: InChI=1S/C27H29FN2O4.C26H30N2O2S.C25H34N2O3.C24H29FN2O2.C24H30N2O3.C22H27ClN2O3/c1-15(20-14-29-21-4-2-3-19(26(20)21)22-5-6-23(28)34-22)7-24(31)30-17-8-16-9-18(30)12-27(10-16,11-17)13-25(32)33;1-15-5-6-21-25(24(15)22-4-3-7-31-22)20(14-27-21)16(2)8-23(29)28-18-9-17-10-19(28)13-26(30,11-17)12-18;1-15(2)30-21-7-5-6-20-23(21)19(13-26-20)16(3)8-22(28)27-17-9-24(4)10-18(27)12-25(29,11-17)14-24;1-14(19-12-26-20-4-2-3-18(22(19)20)15-5-6-15)7-21(28)27-16-8-23(25)9-17(27)11-24(29,10-16)13-23;1-13(21-22-18(15-5-6-15)3-2-4-19(22)25-23(21)28)7-20(27)26-16-8-14-9-17(26)12-24(29,10-14)11-16;1-11-3-4-16-19(20(11)23)18(21(27)24-16)12(2)5-17(26)25-14-6-13-7-15(25)10-22(28,8-13)9-14/h2-6,14-18,29H,7-13H2,1H3,(H,32,33);3-7,14,16-19,27,30H,8-13H2,1-2H3;5-7,13,15-18,26,29H,8-12,14H2,1-4H3;2-4,12,14-17,26,29H,5-11,13H2,1H3;2-4,13-17,21,29H,5-12H2,1H3,(H,25,28);3-4,12-15,18,28H,5-10H2,1-2H3,(H,24,27)
• InChIKey: AKVQLRLRFXGYKJ-UHFFFAOYSA-N
• XLogP: 27.72
• TPSA: 404.04 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2503.64
LogP ≤ 5	27.72
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1,3-dihydroindol-2-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1,3-dihydroindol-2-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-(5-fluoro-7-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(5-methyl-4-thiophen-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one (CID 157147246) is 4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1,3-dihydroindol-2-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1,3-dihydroindol-2-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-(5-fluoro-7-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(5-methyl-4-thiophen-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one.

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

The canonical SMILES for 4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1,3-dihydroindol-2-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1,3-dihydroindol-2-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-(5-fluoro-7-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(5-methyl-4-thiophen-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one is CC(C)Oc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c12.CC(CC(=O)N1C2CC3(O)CC1CC(F)(C2)C3)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(CC(=O)O)(C3)C2)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)C1C(=O)Nc2cccc(C3CC3)c21.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c2c1-c1cccs1.Cc1ccc2c(c1Cl)C(C(C)CC(=O)N1C3CC4CC1CC(O)(C4)C3)C(=O)N2.

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

The InChIKey is AKVQLRLRFXGYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O4.C26H30N2O2S.C25H34N2O3.C24H29FN2O2.C24H30N2O3.C22H27ClN2O3/c1-15(20-14-29-21-4-2-3-19(26(20)21)22-5-6-23(28)34-22)7-24(31)30-17-8-16-9-18(30)12-27(10-16,11-17)13-25(32)33;1-15-5-6-21-25(24(15)22-4-3-7-31-22)20(14-27-21)16(2)8-23(29)28-18-9-17-10-19(28)13-26(30,11-17)12-18;1-15(2)30-21-7-5-6-20-23(21)19(13-26-20)16(3)8-22(28)27-17-9-24(4)10-18(27)12-25(29,11-17)14-24;1-14(19-12-26-20-4-2-3-18(22(19)20)15-5-6-15)7-21(28)27-16-8-23(25)9-17(27)11-24(29,10-16)13-23;1-13(21-22-18(15-5-6-15)3-2-4-19(22)25-23(21)28)7-20(27)26-16-8-14-9-17(26)12-24(29,10-14)11-16;1-11-3-4-16-19(20(11)23)18(21(27)24-16)12(2)5-17(26)25-14-6-13-7-15(25)10-22(28,8-13)9-14/h2-6,14-18,29H,7-13H2,1H3,(H,32,33);3-7,14,16-19,27,30H,8-13H2,1-2H3;5-7,13,15-18,26,29H,8-12,14H2,1-4H3;2-4,12,14-17,26,29H,5-11,13H2,1H3;2-4,13-17,21,29H,5-12H2,1H3,(H,25,28);3-4,12-15,18,28H,5-10H2,1-2H3,(H,24,27).

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

4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1,3-dihydroindol-2-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1,3-dihydroindol-2-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-(5-fluoro-7-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(5-methyl-4-thiophen-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one has a molecular weight of 2503.64 g/mol, XLogP of 27.72, 26 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-methyl-1,3-dihydroindol-2-one;4-cyclopropyl-3-[4-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1,3-dihydroindol-2-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-(5-fluoro-7-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]acetic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(5-methyl-4-thiophen-2-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 157147246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).