1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one

C123H147F3N12O8 — CID 160802952

IUPAC1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
SMILESCc1cccc2[nH]cc(CCC(=O)N3C4CC5CC(C4)CC3C5)c12.Cc1cccc2c1c(CCC(=O)N1C3CC4CC(C3)CC1C4)cn2C.O=C(CCc1c[nH]c2cc(F)ccc12)N1C2CC3CC(C2)C(O)C1C3.O=C(CCc1c[nH]c2cc(F)ccc12)N1C2CC3CC(C2)CC1C3.O=C(CCc1c[nH]c2cccc(F)c12)N1C2CC3CC1CC(O)(C3)C2.O=C(CCc1c[nH]c2ccccc12)N1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H28N2O.C21H26N2O.2C20H23FN2O2.C20H23FN2O.C20H24N2O/c1-14-4-3-5-20-22(14)17(13-23(20)2)6-7-21(25)24-18-9-15-8-16(11-18)12-19(24)10-15;1-13-3-2-4-19-21(13)16(12-22-19)5-6-20(24)23-17-8-14-7-15(10-17)11-18(23)9-14;21-14-2-3-16-12(10-22-17(16)9-14)1-4-19(24)23-15-6-11-5-13(8-15)20(25)18(23)7-11;21-16-2-1-3-17-19(16)13(11-22-17)4-5-18(24)23-14-6-12-7-15(23)10-20(25,8-12)9-14;21-15-2-3-18-14(11-22-19(18)10-15)1-4-20(24)23-16-6-12-5-13(8-16)9-17(23)7-12;23-20(6-5-15-12-21-19-4-2-1-3-18(15)19)22-16-8-13-7-14(10-16)11-17(22)9-13/h3-5,13,15-16,18-19H,6-12H2,1-2H3;2-4,12,14-15,17-18,22H,5-11H2,1H3;2-3,9-11,13,15,18,20,22,25H,1,4-8H2;1-3,11-12,14-15,22,25H,4-10H2;2-3,10-13,16-17,22H,1,4-9H2;1-4,12-14,16-17,21H,5-11H2
InChIKeySDIABJGAHBGYBK-UHFFFAOYSA-N
MW1978.60 g/mol
LogP22.47
Rot. Bonds18

About 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one

1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one (PubChem CID 160802952) has the molecular formula C123H147F3N12O8 and a molecular weight of 1978.60 g/mol. Its IUPAC name is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
PubChem CID160802952
Molecular FormulaC123H147F3N12O8
Molecular Weight1978.60 g/mol
Exact Mass1977.14
IUPAC Name1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
SMILESCc1cccc2[nH]cc(CCC(=O)N3C4CC5CC(C4)CC3C5)c12.Cc1cccc2c1c(CCC(=O)N1C3CC4CC(C3)CC1C4)cn2C.O=C(CCc1c[nH]c2cc(F)ccc12)N1C2CC3CC(C2)C(O)C1C3.O=C(CCc1c[nH]c2cc(F)ccc12)N1C2CC3CC(C2)CC1C3.O=C(CCc1c[nH]c2cccc(F)c12)N1C2CC3CC1CC(O)(C3)C2.O=C(CCc1c[nH]c2ccccc12)N1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H28N2O.C21H26N2O.2C20H23FN2O2.C20H23FN2O.C20H24N2O/c1-14-4-3-5-20-22(14)17(13-23(20)2)6-7-21(25)24-18-9-15-8-16(11-18)12-19(24)10-15;1-13-3-2-4-19-21(13)16(12-22-19)5-6-20(24)23-17-8-14-7-15(10-17)11-18(23)9-14;21-14-2-3-16-12(10-22-17(16)9-14)1-4-19(24)23-15-6-11-5-13(8-15)20(25)18(23)7-11;21-16-2-1-3-17-19(16)13(11-22-17)4-5-18(24)23-14-6-12-7-15(23)10-20(25,8-12)9-14;21-15-2-3-18-14(11-22-19(18)10-15)1-4-20(24)23-16-6-12-5-13(8-16)9-17(23)7-12;23-20(6-5-15-12-21-19-4-2-1-3-18(15)19)22-16-8-13-7-14(10-16)11-17(22)9-13/h3-5,13,15-16,18-19H,6-12H2,1-2H3;2-4,12,14-15,17-18,22H,5-11H2,1H3;2-3,9-11,13,15,18,20,22,25H,1,4-8H2;1-3,11-12,14-15,22,25H,4-10H2;2-3,10-13,16-17,22H,1,4-9H2;1-4,12-14,16-17,21H,5-11H2
InChIKeySDIABJGAHBGYBK-UHFFFAOYSA-N
XLogP22.47
TPSA246.20 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001978.60
LogP ≤ 522.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?
The IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one (CID 160802952) is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?
The canonical SMILES for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one is Cc1cccc2[nH]cc(CCC(=O)N3C4CC5CC(C4)CC3C5)c12.Cc1cccc2c1c(CCC(=O)N1C3CC4CC(C3)CC1C4)cn2C.O=C(CCc1c[nH]c2cc(F)ccc12)N1C2CC3CC(C2)C(O)C1C3.O=C(CCc1c[nH]c2cc(F)ccc12)N1C2CC3CC(C2)CC1C3.O=C(CCc1c[nH]c2cccc(F)c12)N1C2CC3CC1CC(O)(C3)C2.O=C(CCc1c[nH]c2ccccc12)N1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?
The InChIKey is SDIABJGAHBGYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O.C21H26N2O.2C20H23FN2O2.C20H23FN2O.C20H24N2O/c1-14-4-3-5-20-22(14)17(13-23(20)2)6-7-21(25)24-18-9-15-8-16(11-18)12-19(24)10-15;1-13-3-2-4-19-21(13)16(12-22-19)5-6-20(24)23-17-8-14-7-15(10-17)11-18(23)9-14;21-14-2-3-16-12(10-22-17(16)9-14)1-4-19(24)23-15-6-11-5-13(8-15)20(25)18(23)7-11;21-16-2-1-3-17-19(16)13(11-22-17)4-5-18(24)23-14-6-12-7-15(23)10-20(25,8-12)9-14;21-15-2-3-18-14(11-22-19(18)10-15)1-4-20(24)23-16-6-12-5-13(8-16)9-17(23)7-12;23-20(6-5-15-12-21-19-4-2-1-3-18(15)19)22-16-8-13-7-14(10-16)11-17(22)9-13/h3-5,13,15-16,18-19H,6-12H2,1-2H3;2-4,12,14-15,17-18,22H,5-11H2,1H3;2-3,9-11,13,15,18,20,22,25H,1,4-8H2;1-3,11-12,14-15,22,25H,4-10H2;2-3,10-13,16-17,22H,1,4-9H2;1-4,12-14,16-17,21H,5-11H2.
What are the key properties of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one has a molecular weight of 1978.60 g/mol, XLogP of 22.47, 18 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1,4-dimethylindol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methyl-1H-indol-3-yl)propan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one is sourced from PubChem (CID 160802952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).