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

C162H198F10N16O22S3 — CID 159694402

IUPAC1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
SMILESCC(C(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(F)c(OS(C)(=O)=O)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OS(=O)(=O)C(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OS(C)(=O)=O)c12.Cn1nc(CCC(=O)N2C3CC4CC(C3)CC2C4)c2c(C3CC3)cccc21.Cn1nc(CCC(=O)N2C3CC4CC2CC(O)(C4)C3)c2c(C3CC3)cccc21
InChIInChI=1S/C24H31FN2O4S.C23H26F4N2O5S.C23H26F4N2O3.C23H29FN2O5S.C23H29N3O2.C23H29N3O.C23H28N2O2/c1-14(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;1-12(5-18(30)29-13-6-21(2)7-14(29)9-22(31,8-13)11-21)15-10-28-17-4-3-16(24)20(19(15)17)34-35(32,33)23(25,26)27;1-12(15-10-28-17-4-3-16(24)20(19(15)17)32-23(25,26)27)5-18(30)29-13-6-21(2)7-14(29)9-22(31,8-13)11-21;1-13(16-11-25-18-5-4-17(24)21(20(16)18)31-32(3,29)30)6-19(27)26-14-7-22(2)8-15(26)10-23(28,9-14)12-22;1-25-20-4-2-3-18(15-5-6-15)22(20)19(24-25)7-8-21(27)26-16-9-14-10-17(26)13-23(28,11-14)12-16;1-25-21-4-2-3-19(16-5-6-16)23(21)20(24-25)7-8-22(27)26-17-10-14-9-15(12-17)13-18(26)11-14;1-13(19-12-24-20-4-2-3-18(21(19)20)15-5-6-15)22(26)25-16-7-14-8-17(25)11-23(27,9-14)10-16/h5-6,12,14-16,26H,7-11,13H2,1-4H3;3-4,10,12-14,28,31H,5-9,11H2,1-2H3;3-4,10,12-14,28,31H,5-9,11H2,1-2H3;4-5,11,13-15,25,28H,6-10,12H2,1-3H3;2-4,14-17,28H,5-13H2,1H3;2-4,14-18H,5-13H2,1H3;2-4,12-17,24,27H,5-11H2,1H3
InChIKeyMWVCOBXNHKGVQH-UHFFFAOYSA-N
MW3007.64 g/mol
LogP28.97
Rot. Bonds30

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

1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one (PubChem CID 159694402) has the molecular formula C162H198F10N16O22S3 and a molecular weight of 3007.64 g/mol. Its IUPAC name is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
PubChem CID159694402
Molecular FormulaC162H198F10N16O22S3
Molecular Weight3007.64 g/mol
Exact Mass3005.39
IUPAC Name1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
SMILESCC(C(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(F)c(OS(C)(=O)=O)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OS(=O)(=O)C(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OS(C)(=O)=O)c12.Cn1nc(CCC(=O)N2C3CC4CC(C3)CC2C4)c2c(C3CC3)cccc21.Cn1nc(CCC(=O)N2C3CC4CC2CC(O)(C4)C3)c2c(C3CC3)cccc21
InChIInChI=1S/C24H31FN2O4S.C23H26F4N2O5S.C23H26F4N2O3.C23H29FN2O5S.C23H29N3O2.C23H29N3O.C23H28N2O2/c1-14(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;1-12(5-18(30)29-13-6-21(2)7-14(29)9-22(31,8-13)11-21)15-10-28-17-4-3-16(24)20(19(15)17)34-35(32,33)23(25,26)27;1-12(15-10-28-17-4-3-16(24)20(19(15)17)32-23(25,26)27)5-18(30)29-13-6-21(2)7-14(29)9-22(31,8-13)11-21;1-13(16-11-25-18-5-4-17(24)21(20(16)18)31-32(3,29)30)6-19(27)26-14-7-22(2)8-15(26)10-23(28,9-14)12-22;1-25-20-4-2-3-18(15-5-6-15)22(20)19(24-25)7-8-21(27)26-16-9-14-10-17(26)13-23(28,11-14)12-16;1-25-21-4-2-3-19(16-5-6-16)23(21)20(24-25)7-8-22(27)26-17-10-14-9-15(12-17)13-18(26)11-14;1-13(19-12-24-20-4-2-3-18(21(19)20)15-5-6-15)22(26)25-16-7-14-8-17(25)11-23(27,9-14)10-16/h5-6,12,14-16,26H,7-11,13H2,1-4H3;3-4,10,12-14,28,31H,5-9,11H2,1-2H3;3-4,10,12-14,28,31H,5-9,11H2,1-2H3;4-5,11,13-15,25,28H,6-10,12H2,1-3H3;2-4,14-17,28H,5-13H2,1H3;2-4,14-18H,5-13H2,1H3;2-4,12-17,24,27H,5-11H2,1H3
InChIKeyMWVCOBXNHKGVQH-UHFFFAOYSA-N
XLogP28.97
TPSA497.25 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003007.64
LogP ≤ 528.97
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
The IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one (CID 159694402) is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one.
What is the SMILES notation for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
The canonical SMILES for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one is CC(C(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2ccc(F)c(OS(C)(=O)=O)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OS(=O)(=O)C(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OS(C)(=O)=O)c12.Cn1nc(CCC(=O)N2C3CC4CC(C3)CC2C4)c2c(C3CC3)cccc21.Cn1nc(CCC(=O)N2C3CC4CC2CC(O)(C4)C3)c2c(C3CC3)cccc21.
What is the InChIKey of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
The InChIKey is MWVCOBXNHKGVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O4S.C23H26F4N2O5S.C23H26F4N2O3.C23H29FN2O5S.C23H29N3O2.C23H29N3O.C23H28N2O2/c1-14(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;1-12(5-18(30)29-13-6-21(2)7-14(29)9-22(31,8-13)11-21)15-10-28-17-4-3-16(24)20(19(15)17)34-35(32,33)23(25,26)27;1-12(15-10-28-17-4-3-16(24)20(19(15)17)32-23(25,26)27)5-18(30)29-13-6-21(2)7-14(29)9-22(31,8-13)11-21;1-13(16-11-25-18-5-4-17(24)21(20(16)18)31-32(3,29)30)6-19(27)26-14-7-22(2)8-15(26)10-23(28,9-14)12-22;1-25-20-4-2-3-18(15-5-6-15)22(20)19(24-25)7-8-21(27)26-16-9-14-10-17(26)13-23(28,11-14)12-16;1-25-21-4-2-3-19(16-5-6-16)23(21)20(24-25)7-8-22(27)26-17-10-14-9-15(12-17)13-18(26)11-14;1-13(19-12-24-20-4-2-3-18(21(19)20)15-5-6-15)22(26)25-16-7-14-8-17(25)11-23(27,9-14)10-16/h5-6,12,14-16,26H,7-11,13H2,1-4H3;3-4,10,12-14,28,31H,5-9,11H2,1-2H3;3-4,10,12-14,28,31H,5-9,11H2,1-2H3;4-5,11,13-15,25,28H,6-10,12H2,1-3H3;2-4,14-17,28H,5-13H2,1H3;2-4,14-18H,5-13H2,1H3;2-4,12-17,24,27H,5-11H2,1H3.
What are the key properties of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one has a molecular weight of 3007.64 g/mol, XLogP of 28.97, 30 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1-methylindazol-3-yl)propan-1-one;2-(4-cyclopropyl-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;[3-[4-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-5-fluoro-1H-indol-4-yl] methanesulfonate;[5-fluoro-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;[5-fluoro-3-[4-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl] trifluoromethanesulfonate;3-[5-fluoro-4-(trifluoromethoxy)-1H-indol-3-yl]-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one is sourced from PubChem (CID 159694402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).