[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one

C166H205Cl3F12N14O25S4 — CID 158168783

IUPAC[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one
SMILESCC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(Cl)c(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(Cl)c(OS(=O)(=O)C(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(Cl)c(OS(C)(=O)=O)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2cccc(OS(C)(=O)=O)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2cccc(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2cccc(OS(C)(=O)=O)c12.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1OC(F)(F)F
InChIInChI=1S/C24H28ClF3N2O4S.C24H28ClF3N2O2.C24H31ClN2O4S.C24H29F3N2O3.C24H32N2O4S.C23H27F3N2O3.C23H30N2O5S/c1-13(6-19(31)30-14-7-22(2)8-15(30)10-23(3,9-14)12-22)16-11-29-18-5-4-17(25)21(20(16)18)34-35(32,33)24(26,27)28;1-13(16-11-29-18-5-4-17(25)21(20(16)18)32-24(26,27)28)6-19(31)30-14-7-22(2)8-15(30)10-23(3,9-14)12-22;1-14(17-12-26-19-6-5-18(25)22(21(17)19)31-32(4,29)30)7-20(28)27-15-8-23(2)9-16(27)11-24(3,10-15)13-23;1-13-4-5-18-20(21(13)32-24(25,26)27)17(11-28-18)14(2)6-19(30)29-15-7-22(3)8-16(29)10-23(31,9-15)12-22;1-15(18-13-25-19-6-5-7-20(22(18)19)30-31(4,28)29)8-21(27)26-16-9-23(2)10-17(26)12-24(3,11-16)14-23;1-13(16-11-27-17-4-3-5-18(20(16)17)31-23(24,25)26)6-19(29)28-14-7-21(2)8-15(28)10-22(30,9-14)12-21;1-14(17-12-24-18-5-4-6-19(21(17)18)30-31(3,28)29)7-20(26)25-15-8-22(2)9-16(25)11-23(27,10-15)13-22/h4-5,11,13-15,29H,6-10,12H2,1-3H3;4-5,11,13-15,29H,6-10,12H2,1-3H3;5-6,12,14-16,26H,7-11,13H2,1-4H3;4-5,11,14-16,28,31H,6-10,12H2,1-3H3;5-7,13,15-17,25H,8-12,14H2,1-4H3;3-5,11,13-15,27,30H,6-10,12H2,1-2H3;4-6,12,14-16,24,27H,7-11,13H2,1-3H3
InChIKeyFXELUUOKZFHXHX-UHFFFAOYSA-N
MW3259.14 g/mol
LogP36.00
Rot. Bonds32

About [5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one

[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one (PubChem CID 158168783) has the molecular formula C166H205Cl3F12N14O25S4 and a molecular weight of 3259.14 g/mol. Its IUPAC name is [5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one.

Molecular Properties

Compound Name[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one
PubChem CID158168783
Molecular FormulaC166H205Cl3F12N14O25S4
Molecular Weight3259.14 g/mol
Exact Mass3255.30
IUPAC Name[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one
SMILESCC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(Cl)c(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(Cl)c(OS(=O)(=O)C(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(Cl)c(OS(C)(=O)=O)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2cccc(OS(C)(=O)=O)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2cccc(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2cccc(OS(C)(=O)=O)c12.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1OC(F)(F)F
InChIInChI=1S/C24H28ClF3N2O4S.C24H28ClF3N2O2.C24H31ClN2O4S.C24H29F3N2O3.C24H32N2O4S.C23H27F3N2O3.C23H30N2O5S/c1-13(6-19(31)30-14-7-22(2)8-15(30)10-23(3,9-14)12-22)16-11-29-18-5-4-17(25)21(20(16)18)34-35(32,33)24(26,27)28;1-13(16-11-29-18-5-4-17(25)21(20(16)18)32-24(26,27)28)6-19(31)30-14-7-22(2)8-15(30)10-23(3,9-14)12-22;1-14(17-12-26-19-6-5-18(25)22(21(17)19)31-32(4,29)30)7-20(28)27-15-8-23(2)9-16(27)11-24(3,10-15)13-23;1-13-4-5-18-20(21(13)32-24(25,26)27)17(11-28-18)14(2)6-19(30)29-15-7-22(3)8-16(29)10-23(31,9-15)12-22;1-15(18-13-25-19-6-5-7-20(22(18)19)30-31(4,28)29)8-21(27)26-16-9-23(2)10-17(26)12-24(3,11-16)14-23;1-13(16-11-27-17-4-3-5-18(20(16)17)31-23(24,25)26)6-19(29)28-14-7-21(2)8-15(28)10-22(30,9-14)12-21;1-14(17-12-24-18-5-4-6-19(21(17)18)30-31(3,28)29)7-20(26)25-15-8-22(2)9-16(25)11-23(27,10-15)13-22/h4-5,11,13-15,29H,6-10,12H2,1-3H3;4-5,11,13-15,29H,6-10,12H2,1-3H3;5-6,12,14-16,26H,7-11,13H2,1-4H3;4-5,11,14-16,28,31H,6-10,12H2,1-3H3;5-7,13,15-17,25H,8-12,14H2,1-4H3;3-5,11,13-15,27,30H,6-10,12H2,1-2H3;4-6,12,14-16,24,27H,7-11,13H2,1-3H3
InChIKeyFXELUUOKZFHXHX-UHFFFAOYSA-N
XLogP36.00
TPSA514.56 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003259.14
LogP ≤ 536.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one?
The IUPAC name of [5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one (CID 158168783) is [5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one.
What is the SMILES notation for [5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one?
The canonical SMILES for [5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one is CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(Cl)c(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(Cl)c(OS(=O)(=O)C(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(Cl)c(OS(C)(=O)=O)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2cccc(OS(C)(=O)=O)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2cccc(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2cccc(OS(C)(=O)=O)c12.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1OC(F)(F)F.
What is the InChIKey of [5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one?
The InChIKey is FXELUUOKZFHXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF3N2O4S.C24H28ClF3N2O2.C24H31ClN2O4S.C24H29F3N2O3.C24H32N2O4S.C23H27F3N2O3.C23H30N2O5S/c1-13(6-19(31)30-14-7-22(2)8-15(30)10-23(3,9-14)12-22)16-11-29-18-5-4-17(25)21(20(16)18)34-35(32,33)24(26,27)28;1-13(16-11-29-18-5-4-17(25)21(20(16)18)32-24(26,27)28)6-19(31)30-14-7-22(2)8-15(30)10-23(3,9-14)12-22;1-14(17-12-26-19-6-5-18(25)22(21(17)19)31-32(4,29)30)7-20(28)27-15-8-23(2)9-16(27)11-24(3,10-15)13-23;1-13-4-5-18-20(21(13)32-24(25,26)27)17(11-28-18)14(2)6-19(30)29-15-7-22(3)8-16(29)10-23(31,9-15)12-22;1-15(18-13-25-19-6-5-7-20(22(18)19)30-31(4,28)29)8-21(27)26-16-9-23(2)10-17(26)12-24(3,11-16)14-23;1-13(16-11-27-17-4-3-5-18(20(16)17)31-23(24,25)26)6-19(29)28-14-7-21(2)8-15(28)10-22(30,9-14)12-21;1-14(17-12-24-18-5-4-6-19(21(17)18)30-31(3,28)29)7-20(26)25-15-8-22(2)9-16(25)11-23(27,10-15)13-22/h4-5,11,13-15,29H,6-10,12H2,1-3H3;4-5,11,13-15,29H,6-10,12H2,1-3H3;5-6,12,14-16,26H,7-11,13H2,1-4H3;4-5,11,14-16,28,31H,6-10,12H2,1-3H3;5-7,13,15-17,25H,8-12,14H2,1-4H3;3-5,11,13-15,27,30H,6-10,12H2,1-2H3;4-6,12,14-16,24,27H,7-11,13H2,1-3H3.
What are the key properties of [5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one?
[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one has a molecular weight of 3259.14 g/mol, XLogP of 36.00, 32 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;[5-chloro-3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-chloro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[5-methyl-4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one;[3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] methanesulfonate;1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one is sourced from PubChem (CID 158168783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).