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

C178H227ClF4N14O18 — CID 161253972

IUPAC3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-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]c2cccc(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2cccc(OC3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(Cl)c(OC3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OC3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2cccc(OC3CC3)c12.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5(C)CC3CC(C)(C4)C5)c2c1OC1CC1.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1OC1CC1
InChIInChI=1S/C27H36N2O2.C26H34N2O3.C26H34N2O2.C25H31ClN2O3.C25H31FN2O3.C25H32N2O3.C24H29F3N2O2/c1-16-5-8-22-24(25(16)31-20-6-7-20)21(14-28-22)17(2)9-23(30)29-18-10-26(3)11-19(29)13-27(4,12-18)15-26;1-15-4-7-21-23(24(15)31-19-5-6-19)20(13-27-21)16(2)8-22(29)28-17-9-25(3)10-18(28)12-26(30,11-17)14-25;1-16(20-14-27-21-5-4-6-22(24(20)21)30-19-7-8-19)9-23(29)28-17-10-25(2)11-18(28)13-26(3,12-17)15-25;2*1-14(18-12-27-20-6-5-19(26)23(22(18)20)31-17-3-4-17)7-21(29)28-15-8-24(2)9-16(28)11-25(30,10-15)13-24;1-15(19-13-26-20-4-3-5-21(23(19)20)30-18-6-7-18)8-22(28)27-16-9-24(2)10-17(27)12-25(29,11-16)14-24;1-14(17-12-28-18-5-4-6-19(21(17)18)31-24(25,26)27)7-20(30)29-15-8-22(2)9-16(29)11-23(3,10-15)13-22/h5,8,14,17-20,28H,6-7,9-13,15H2,1-4H3;4,7,13,16-19,27,30H,5-6,8-12,14H2,1-3H3;4-6,14,16-19,27H,7-13,15H2,1-3H3;2*5-6,12,14-17,27,30H,3-4,7-11,13H2,1-2H3;3-5,13,15-18,26,29H,6-12,14H2,1-2H3;4-6,12,14-16,28H,7-11,13H2,1-3H3
InChIKeyVBQMTNCLRYFFQC-UHFFFAOYSA-N
MW2962.30 g/mol
LogP37.07
Rot. Bonds34

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

3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one (PubChem CID 161253972) has the molecular formula C178H227ClF4N14O18 and a molecular weight of 2962.30 g/mol. Its IUPAC name is 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one.

Molecular Properties

Compound Name3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one
PubChem CID161253972
Molecular FormulaC178H227ClF4N14O18
Molecular Weight2962.30 g/mol
Exact Mass2959.69
IUPAC Name3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-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]c2cccc(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2cccc(OC3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(Cl)c(OC3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OC3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2cccc(OC3CC3)c12.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5(C)CC3CC(C)(C4)C5)c2c1OC1CC1.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1OC1CC1
InChIInChI=1S/C27H36N2O2.C26H34N2O3.C26H34N2O2.C25H31ClN2O3.C25H31FN2O3.C25H32N2O3.C24H29F3N2O2/c1-16-5-8-22-24(25(16)31-20-6-7-20)21(14-28-22)17(2)9-23(30)29-18-10-26(3)11-19(29)13-27(4,12-18)15-26;1-15-4-7-21-23(24(15)31-19-5-6-19)20(13-27-21)16(2)8-22(29)28-17-9-25(3)10-18(28)12-26(30,11-17)14-25;1-16(20-14-27-21-5-4-6-22(24(20)21)30-19-7-8-19)9-23(29)28-17-10-25(2)11-18(28)13-26(3,12-17)15-25;2*1-14(18-12-27-20-6-5-19(26)23(22(18)20)31-17-3-4-17)7-21(29)28-15-8-24(2)9-16(28)11-25(30,10-15)13-24;1-15(19-13-26-20-4-3-5-21(23(19)20)30-18-6-7-18)8-22(28)27-16-9-24(2)10-17(27)12-25(29,11-16)14-24;1-14(17-12-28-18-5-4-6-19(21(17)18)31-24(25,26)27)7-20(30)29-15-8-22(2)9-16(29)11-23(3,10-15)13-22/h5,8,14,17-20,28H,6-7,9-13,15H2,1-4H3;4,7,13,16-19,27,30H,5-6,8-12,14H2,1-3H3;4-6,14,16-19,27H,7-13,15H2,1-3H3;2*5-6,12,14-17,27,30H,3-4,7-11,13H2,1-2H3;3-5,13,15-18,26,29H,6-12,14H2,1-2H3;4-6,12,14-16,28H,7-11,13H2,1-3H3
InChIKeyVBQMTNCLRYFFQC-UHFFFAOYSA-N
XLogP37.07
TPSA398.23 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds34
Heavy Atoms215
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002962.30
LogP ≤ 537.07
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Analyze 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-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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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one?
The IUPAC name of 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one (CID 161253972) is 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-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 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one?
The canonical SMILES for 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-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]c2cccc(OC(F)(F)F)c12.CC(CC(=O)N1C2CC3(C)CC1CC(C)(C2)C3)c1c[nH]c2cccc(OC3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(Cl)c(OC3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2ccc(F)c(OC3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1c[nH]c2cccc(OC3CC3)c12.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5(C)CC3CC(C)(C4)C5)c2c1OC1CC1.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5(C)CC3CC(O)(C4)C5)c2c1OC1CC1.
What is the InChIKey of 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one?
The InChIKey is VBQMTNCLRYFFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2.C26H34N2O3.C26H34N2O2.C25H31ClN2O3.C25H31FN2O3.C25H32N2O3.C24H29F3N2O2/c1-16-5-8-22-24(25(16)31-20-6-7-20)21(14-28-22)17(2)9-23(30)29-18-10-26(3)11-19(29)13-27(4,12-18)15-26;1-15-4-7-21-23(24(15)31-19-5-6-19)20(13-27-21)16(2)8-22(29)28-17-9-25(3)10-18(28)12-26(30,11-17)14-25;1-16(20-14-27-21-5-4-6-22(24(20)21)30-19-7-8-19)9-23(29)28-17-10-25(2)11-18(28)13-26(3,12-17)15-25;2*1-14(18-12-27-20-6-5-19(26)23(22(18)20)31-17-3-4-17)7-21(29)28-15-8-24(2)9-16(28)11-25(30,10-15)13-24;1-15(19-13-26-20-4-3-5-21(23(19)20)30-18-6-7-18)8-22(28)27-16-9-24(2)10-17(27)12-25(29,11-16)14-24;1-14(17-12-28-18-5-4-6-19(21(17)18)31-24(25,26)27)7-20(30)29-15-8-22(2)9-16(29)11-23(3,10-15)13-22/h5,8,14,17-20,28H,6-7,9-13,15H2,1-4H3;4,7,13,16-19,27,30H,5-6,8-12,14H2,1-3H3;4-6,14,16-19,27H,7-13,15H2,1-3H3;2*5-6,12,14-17,27,30H,3-4,7-11,13H2,1-2H3;3-5,13,15-18,26,29H,6-12,14H2,1-2H3;4-6,12,14-16,28H,7-11,13H2,1-3H3.
What are the key properties of 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-[4-(trifluoromethoxy)-1H-indol-3-yl]butan-1-one?
3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-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 2962.30 g/mol, XLogP of 37.07, 34 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5,7-dimethyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-5-methyl-1H-indol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5,7-dimethyl-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 161253972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).