bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one

C162H209F3N16O5 — CID 159787099

IUPACbis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one
SMILESCCC1(C)CC2CC(=O)C1N(CCc1c[nH]c3ccccc13)C2.CCC1(C)CC2CN(CCc3c[nH]c4ccc(F)cc34)C1CC2=O.CCC1(C)CC2CN(CCc3c[nH]c4ccccc34)C1CC2=O.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1=CC2N(CCc3c[nH]c4ccc(F)cc34)CC1CC2(C)CC.CCC1CC2CN(CCc3c[nH]c4ccc(F)cc34)C1CC2=O.CCC1CC2CN(CCc3c[nH]c4ccccc34)C1CC2=O
InChIInChI=1S/C22H29FN2.2C21H28N2.C20H25FN2O.2C20H26N2O.C19H23FN2O.C19H24N2O/c1-4-15-10-21-22(3,5-2)12-17(15)14-25(21)9-8-16-13-24-20-7-6-18(23)11-19(16)20;2*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)10-14-12-23(19(20)9-18(14)24)7-6-13-11-22-17-5-4-15(21)8-16(13)17;1-3-20(2)11-14-10-18(23)19(20)22(13-14)9-8-15-12-21-17-7-5-4-6-16(15)17;1-3-20(2)11-15-13-22(19(20)10-18(15)23)9-8-14-12-21-17-7-5-4-6-16(14)17;1-2-12-7-14-11-22(18(12)9-19(14)23)6-5-13-10-21-17-4-3-15(20)8-16(13)17;1-2-13-9-15-12-21(18(13)10-19(15)22)8-7-14-11-20-17-6-4-3-5-16(14)17/h6-7,10-11,13,17,21,24H,4-5,8-9,12,14H2,1-3H3;2*5-8,11,13,15,17,21-22H,3-4,9-10,12,14H2,1-2H3;4-5,8,11,14,19,22H,3,6-7,9-10,12H2,1-2H3;4-7,12,14,19,21H,3,8-11,13H2,1-2H3;4-7,12,15,19,21H,3,8-11,13H2,1-2H3;3-4,8,10,12,14,18,21H,2,5-7,9,11H2,1H3;3-6,11,13,15,18,20H,2,7-10,12H2,1H3
InChIKeyNIBYMFZZXZCTSI-UHFFFAOYSA-N
MW2517.55 g/mol
LogP33.31
Rot. Bonds35

About bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one

bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one (PubChem CID 159787099) has the molecular formula C162H209F3N16O5 and a molecular weight of 2517.55 g/mol. Its IUPAC name is bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one.

Molecular Properties

Compound Namebis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one
PubChem CID159787099
Molecular FormulaC162H209F3N16O5
Molecular Weight2517.55 g/mol
Exact Mass2515.65
IUPAC Namebis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one
SMILESCCC1(C)CC2CC(=O)C1N(CCc1c[nH]c3ccccc13)C2.CCC1(C)CC2CN(CCc3c[nH]c4ccc(F)cc34)C1CC2=O.CCC1(C)CC2CN(CCc3c[nH]c4ccccc34)C1CC2=O.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1=CC2N(CCc3c[nH]c4ccc(F)cc34)CC1CC2(C)CC.CCC1CC2CN(CCc3c[nH]c4ccc(F)cc34)C1CC2=O.CCC1CC2CN(CCc3c[nH]c4ccccc34)C1CC2=O
InChIInChI=1S/C22H29FN2.2C21H28N2.C20H25FN2O.2C20H26N2O.C19H23FN2O.C19H24N2O/c1-4-15-10-21-22(3,5-2)12-17(15)14-25(21)9-8-16-13-24-20-7-6-18(23)11-19(16)20;2*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)10-14-12-23(19(20)9-18(14)24)7-6-13-11-22-17-5-4-15(21)8-16(13)17;1-3-20(2)11-14-10-18(23)19(20)22(13-14)9-8-15-12-21-17-7-5-4-6-16(15)17;1-3-20(2)11-15-13-22(19(20)10-18(15)23)9-8-14-12-21-17-7-5-4-6-16(14)17;1-2-12-7-14-11-22(18(12)9-19(14)23)6-5-13-10-21-17-4-3-15(20)8-16(13)17;1-2-13-9-15-12-21(18(13)10-19(15)22)8-7-14-11-20-17-6-4-3-5-16(14)17/h6-7,10-11,13,17,21,24H,4-5,8-9,12,14H2,1-3H3;2*5-8,11,13,15,17,21-22H,3-4,9-10,12,14H2,1-2H3;4-5,8,11,14,19,22H,3,6-7,9-10,12H2,1-2H3;4-7,12,14,19,21H,3,8-11,13H2,1-2H3;4-7,12,15,19,21H,3,8-11,13H2,1-2H3;3-4,8,10,12,14,18,21H,2,5-7,9,11H2,1H3;3-6,11,13,15,18,20H,2,7-10,12H2,1H3
InChIKeyNIBYMFZZXZCTSI-UHFFFAOYSA-N
XLogP33.31
TPSA237.59 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds35
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002517.55
LogP ≤ 533.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

Ilpwkwpwwpwpp-NH2
CID 16197752
Lpwkwpwwpwpp-NH2
CID 16197753
Ilpwkwpwwpwp-NH2
CID 16197754
Ilawkwawwawpp-NH2
CID 16197757
(Ilpwkwpwwpwpp)2K-NH2
CID 44395610
H-D-aIle-D-Leu-D-Pro-D-Trp-D-Lys-D-Trp-D-Pro-D-Trp-D-Trp-D-Pro-D-Trp-D-Pro-D-Pro-DL-Lys(1)-NH2.H-D-aIle-D-Leu-D-Pro-D-Trp-D-Lys-D-Trp-D-Pro-D-Trp-D-Trp-D-Pro-D-Trp-D-Pro-D-Pro-(1)
CID 44395611
Ilpwgwpwwpwpp-NH2
CID 16197755
(3S)-2-[(2S)-2-[[2-[[(1S)-2-[(3S)-2-[(2S)-2-[[2-[[(1S)-2-[(3S)-2-[(2S)-2-[[2-[[(1S)-2-[(3S)-2-[(2S)-2-[(2-acetamidoacetyl)amino]-3-phenylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carbonyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carbonyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]-N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 73354247
[NH2-Ile-Leu-Pro-Trp-Lys-Trp-Pro-Trp-Trp-Pro-Trp-Pro-Pro]2-Lys-NH2
CID 16197758
[(D)-(NH2-Ile-Leu-Pro-Trp-Lys-Trp-Pro-Trp-Trp-Pro-Trp-Pro-Pro)]2-(D)-Lys-NH2
CID 16197788
H-Lys-Trp-Leu-Lys-Lys-Trp-Trp-Lys-Trp-Trp-Lys-Lys-NH2
CID 172458481
2-[1-[2-[4-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
CID 157131904

Frequently Asked Questions

What is the IUPAC name of bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one?
The IUPAC name of bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one (CID 159787099) is bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one.
What is the SMILES notation for bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one?
The canonical SMILES for bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one is CCC1(C)CC2CC(=O)C1N(CCc1c[nH]c3ccccc13)C2.CCC1(C)CC2CN(CCc3c[nH]c4ccc(F)cc34)C1CC2=O.CCC1(C)CC2CN(CCc3c[nH]c4ccccc34)C1CC2=O.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1=CC2N(CCc3c[nH]c4ccc(F)cc34)CC1CC2(C)CC.CCC1CC2CN(CCc3c[nH]c4ccc(F)cc34)C1CC2=O.CCC1CC2CN(CCc3c[nH]c4ccccc34)C1CC2=O.
What is the InChIKey of bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one?
The InChIKey is NIBYMFZZXZCTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2.2C21H28N2.C20H25FN2O.2C20H26N2O.C19H23FN2O.C19H24N2O/c1-4-15-10-21-22(3,5-2)12-17(15)14-25(21)9-8-16-13-24-20-7-6-18(23)11-19(16)20;2*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)10-14-12-23(19(20)9-18(14)24)7-6-13-11-22-17-5-4-15(21)8-16(13)17;1-3-20(2)11-14-10-18(23)19(20)22(13-14)9-8-15-12-21-17-7-5-4-6-16(15)17;1-3-20(2)11-15-13-22(19(20)10-18(15)23)9-8-14-12-21-17-7-5-4-6-16(14)17;1-2-12-7-14-11-22(18(12)9-19(14)23)6-5-13-10-21-17-4-3-15(20)8-16(13)17;1-2-13-9-15-12-21(18(13)10-19(15)22)8-7-14-11-20-17-6-4-3-5-16(14)17/h6-7,10-11,13,17,21,24H,4-5,8-9,12,14H2,1-3H3;2*5-8,11,13,15,17,21-22H,3-4,9-10,12,14H2,1-2H3;4-5,8,11,14,19,22H,3,6-7,9-10,12H2,1-2H3;4-7,12,14,19,21H,3,8-11,13H2,1-2H3;4-7,12,15,19,21H,3,8-11,13H2,1-2H3;3-4,8,10,12,14,18,21H,2,5-7,9,11H2,1H3;3-6,11,13,15,18,20H,2,7-10,12H2,1H3.
What are the key properties of bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one?
bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one has a molecular weight of 2517.55 g/mol, XLogP of 33.31, 35 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-6-one is sourced from PubChem (CID 159787099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).