1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane

C172H207F3N18O5 — CID 159151293

IUPAC1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane
SMILESC.C1=CC2CCC1CN2CCCc1c[nH]c2ccccc12.C1=CC2CCC1CN2Cc1c[nH]c2ccccc12.CCC1(C)CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(F)cc13)C2.CCC1(C)CC2C=CC1N(C(=O)Cc1c[nH]c3ccccc13)C2.CCC1=CC2C(CC)CC1CN2CCc1c[nH]c2ccc(F)cc12.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(F)cc13)C2.CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccccc13)C2.O=C(Cc1c[nH]c2ccccc12)N1CC2C=CC1CC2
InChIInChI=1S/C21H27FN2.C21H28N2.C20H23FN2O.C20H24N2O.C19H21FN2O.C19H22N2O.C18H22N2.C17H18N2O.C16H18N2.CH4/c1-3-14-10-21-15(4-2)9-17(14)13-24(21)8-7-16-12-23-20-6-5-18(22)11-19(16)20;1-3-16-11-15-12-17(4-2)21(16)23(14-15)10-9-18-13-22-20-8-6-5-7-19(18)20;1-3-20(2)10-13-4-7-18(20)23(12-13)19(24)8-14-11-22-17-6-5-15(21)9-16(14)17;1-3-20(2)11-14-8-9-18(20)22(13-14)19(23)10-15-12-21-17-7-5-4-6-16(15)17;1-2-13-7-12-3-6-18(13)22(11-12)19(23)8-14-10-21-17-5-4-15(20)9-16(14)17;1-2-14-9-13-7-8-18(14)21(12-13)19(22)10-15-11-20-17-6-4-3-5-16(15)17;1-2-6-18-17(5-1)15(12-19-18)4-3-11-20-13-14-7-9-16(20)10-8-14;20-17(19-11-12-5-7-14(19)8-6-12)9-13-10-18-16-4-2-1-3-15(13)16;1-2-4-16-15(3-1)13(9-17-16)11-18-10-12-5-7-14(18)8-6-12;/h5-6,10-12,15,17,21,23H,3-4,7-9,13H2,1-2H3;5-8,11,13,15,17,21-22H,3-4,9-10,12,14H2,1-2H3;4-7,9,11,13,18,22H,3,8,10,12H2,1-2H3;4-9,12,14,18,21H,3,10-11,13H2,1-2H3;3-6,9-10,12-13,18,21H,2,7-8,11H2,1H3;3-8,11,13-14,18,20H,2,9-10,12H2,1H3;1-2,5-7,9,12,14,16,19H,3-4,8,10-11,13H2;1-5,7,10,12,14,18H,6,8-9,11H2;1-5,7,9,12,14,17H,6,8,10-11H2;1H4
InChIKeyKJICJICNFCZTSV-UHFFFAOYSA-N
MW2663.66 g/mol
LogP35.44
Rot. Bonds30

About 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane

1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane (PubChem CID 159151293) has the molecular formula C172H207F3N18O5 and a molecular weight of 2663.66 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane
PubChem CID159151293
Molecular FormulaC172H207F3N18O5
Molecular Weight2663.66 g/mol
Exact Mass2661.64
IUPAC Name1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane
SMILESC.C1=CC2CCC1CN2CCCc1c[nH]c2ccccc12.C1=CC2CCC1CN2Cc1c[nH]c2ccccc12.CCC1(C)CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(F)cc13)C2.CCC1(C)CC2C=CC1N(C(=O)Cc1c[nH]c3ccccc13)C2.CCC1=CC2C(CC)CC1CN2CCc1c[nH]c2ccc(F)cc12.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(F)cc13)C2.CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccccc13)C2.O=C(Cc1c[nH]c2ccccc12)N1CC2C=CC1CC2
InChIInChI=1S/C21H27FN2.C21H28N2.C20H23FN2O.C20H24N2O.C19H21FN2O.C19H22N2O.C18H22N2.C17H18N2O.C16H18N2.CH4/c1-3-14-10-21-15(4-2)9-17(14)13-24(21)8-7-16-12-23-20-6-5-18(22)11-19(16)20;1-3-16-11-15-12-17(4-2)21(16)23(14-15)10-9-18-13-22-20-8-6-5-7-19(18)20;1-3-20(2)10-13-4-7-18(20)23(12-13)19(24)8-14-11-22-17-6-5-15(21)9-16(14)17;1-3-20(2)11-14-8-9-18(20)22(13-14)19(23)10-15-12-21-17-7-5-4-6-16(15)17;1-2-13-7-12-3-6-18(13)22(11-12)19(23)8-14-10-21-17-5-4-15(20)9-16(14)17;1-2-14-9-13-7-8-18(14)21(12-13)19(22)10-15-11-20-17-6-4-3-5-16(15)17;1-2-6-18-17(5-1)15(12-19-18)4-3-11-20-13-14-7-9-16(20)10-8-14;20-17(19-11-12-5-7-14(19)8-6-12)9-13-10-18-16-4-2-1-3-15(13)16;1-2-4-16-15(3-1)13(9-17-16)11-18-10-12-5-7-14(18)8-6-12;/h5-6,10-12,15,17,21,23H,3-4,7-9,13H2,1-2H3;5-8,11,13,15,17,21-22H,3-4,9-10,12,14H2,1-2H3;4-7,9,11,13,18,22H,3,8,10,12H2,1-2H3;4-9,12,14,18,21H,3,10-11,13H2,1-2H3;3-6,9-10,12-13,18,21H,2,7-8,11H2,1H3;3-8,11,13-14,18,20H,2,9-10,12H2,1H3;1-2,5-7,9,12,14,16,19H,3-4,8,10-11,13H2;1-5,7,10,12,14,18H,6,8-9,11H2;1-5,7,9,12,14,17H,6,8,10-11H2;1H4
InChIKeyKJICJICNFCZTSV-UHFFFAOYSA-N
XLogP35.44
TPSA256.62 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002663.66
LogP ≤ 535.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane with MolForge

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Launch Full Analysis

Related Compounds

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(3S,12bR)-N-[6-[[(2S)-1-[[(2S)-1-[(2S,4S)-4-amino-2-carbamoylpyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-6-oxohexyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-3-carboxamide
CID 118736407
cyclo[3Pal-D-Pro-N(PrPh)Gly-Trp-D-Phe-Trp]
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cyclo[4Pal-D-Pro-N(PrPh)Gly-Trp-D-Phe-Trp]
CID 137653472
cyclo[2Pal-D-Pro-N(PrPh)Gly-Trp-D-Phe-Trp]
CID 137658844
3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
CID 155534331
3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane?
The IUPAC name of 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane (CID 159151293) is 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane.
What is the SMILES notation for 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane?
The canonical SMILES for 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane is C.C1=CC2CCC1CN2CCCc1c[nH]c2ccccc12.C1=CC2CCC1CN2Cc1c[nH]c2ccccc12.CCC1(C)CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(F)cc13)C2.CCC1(C)CC2C=CC1N(C(=O)Cc1c[nH]c3ccccc13)C2.CCC1=CC2C(CC)CC1CN2CCc1c[nH]c2ccc(F)cc12.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccc(F)cc13)C2.CCC1CC2C=CC1N(C(=O)Cc1c[nH]c3ccccc13)C2.O=C(Cc1c[nH]c2ccccc12)N1CC2C=CC1CC2.
What is the InChIKey of 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane?
The InChIKey is KJICJICNFCZTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2.C21H28N2.C20H23FN2O.C20H24N2O.C19H21FN2O.C19H22N2O.C18H22N2.C17H18N2O.C16H18N2.CH4/c1-3-14-10-21-15(4-2)9-17(14)13-24(21)8-7-16-12-23-20-6-5-18(22)11-19(16)20;1-3-16-11-15-12-17(4-2)21(16)23(14-15)10-9-18-13-22-20-8-6-5-7-19(18)20;1-3-20(2)10-13-4-7-18(20)23(12-13)19(24)8-14-11-22-17-6-5-15(21)9-16(14)17;1-3-20(2)11-14-8-9-18(20)22(13-14)19(23)10-15-12-21-17-7-5-4-6-16(15)17;1-2-13-7-12-3-6-18(13)22(11-12)19(23)8-14-10-21-17-5-4-15(20)9-16(14)17;1-2-14-9-13-7-8-18(14)21(12-13)19(22)10-15-11-20-17-6-4-3-5-16(15)17;1-2-6-18-17(5-1)15(12-19-18)4-3-11-20-13-14-7-9-16(20)10-8-14;20-17(19-11-12-5-7-14(19)8-6-12)9-13-10-18-16-4-2-1-3-15(13)16;1-2-4-16-15(3-1)13(9-17-16)11-18-10-12-5-7-14(18)8-6-12;/h5-6,10-12,15,17,21,23H,3-4,7-9,13H2,1-2H3;5-8,11,13,15,17,21-22H,3-4,9-10,12,14H2,1-2H3;4-7,9,11,13,18,22H,3,8,10,12H2,1-2H3;4-9,12,14,18,21H,3,10-11,13H2,1-2H3;3-6,9-10,12-13,18,21H,2,7-8,11H2,1H3;3-8,11,13-14,18,20H,2,9-10,12H2,1H3;1-2,5-7,9,12,14,16,19H,3-4,8,10-11,13H2;1-5,7,10,12,14,18H,6,8-9,11H2;1-5,7,9,12,14,17H,6,8,10-11H2;1H4.
What are the key properties of 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane?
1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane has a molecular weight of 2663.66 g/mol, XLogP of 35.44, 30 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;3-(2-azabicyclo[2.2.2]oct-5-en-2-ylmethyl)-1H-indole;3-[3-(2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone;1-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)ethanone;methane is sourced from PubChem (CID 159151293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).