1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole

C90H105F6N15O12S3 — CID 159860376

IUPAC1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole
SMILESCC(=O)N1CCC(Cc2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCN(Cc2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(Cc2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C16H19FN2O.C15H16FN3O2.C15H18FN3O.C15H17FN2O3S.C15H19FN2O2S.C14H16FN3O3S/c1-11(20)19-6-4-12(5-7-19)8-13-10-18-16-9-14(17)2-3-15(13)16;1-10(20)18-4-6-19(7-5-18)15(21)13-9-17-14-8-11(16)2-3-12(13)14;1-11(20)19-6-4-18(5-7-19)10-12-9-17-15-8-13(16)2-3-14(12)15;1-22(20,21)18-6-4-10(5-7-18)15(19)13-9-17-14-8-11(16)2-3-12(13)14;1-21(19,20)18-6-4-11(5-7-18)8-12-10-17-15-9-13(16)2-3-14(12)15;1-22(20,21)18-6-4-17(5-7-18)14(19)12-9-16-13-8-10(15)2-3-11(12)13/h2-3,9-10,12,18H,4-8H2,1H3;2-3,8-9,17H,4-7H2,1H3;2-3,8-9,17H,4-7,10H2,1H3;2-3,8-10,17H,4-7H2,1H3;2-3,9-11,17H,4-8H2,1H3;2-3,8-9,16H,4-7H2,1H3
InChIKeyNRBJGJJEWJJGMH-UHFFFAOYSA-N
MW1799.11 g/mol
LogP12.40
Rot. Bonds13

About 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole

1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole (PubChem CID 159860376) has the molecular formula C90H105F6N15O12S3 and a molecular weight of 1799.11 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole
PubChem CID159860376
Molecular FormulaC90H105F6N15O12S3
Molecular Weight1799.11 g/mol
Exact Mass1797.71
IUPAC Name1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole
SMILESCC(=O)N1CCC(Cc2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCN(Cc2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(Cc2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C16H19FN2O.C15H16FN3O2.C15H18FN3O.C15H17FN2O3S.C15H19FN2O2S.C14H16FN3O3S/c1-11(20)19-6-4-12(5-7-19)8-13-10-18-16-9-14(17)2-3-15(13)16;1-10(20)18-4-6-19(7-5-18)15(21)13-9-17-14-8-11(16)2-3-12(13)14;1-11(20)19-6-4-18(5-7-19)10-12-9-17-15-8-13(16)2-3-14(12)15;1-22(20,21)18-6-4-10(5-7-18)15(19)13-9-17-14-8-11(16)2-3-12(13)14;1-21(19,20)18-6-4-11(5-7-18)8-12-10-17-15-9-13(16)2-3-14(12)15;1-22(20,21)18-6-4-17(5-7-18)14(19)12-9-16-13-8-10(15)2-3-11(12)13/h2-3,9-10,12,18H,4-8H2,1H3;2-3,8-9,17H,4-7H2,1H3;2-3,8-9,17H,4-7,10H2,1H3;2-3,8-10,17H,4-7H2,1H3;2-3,9-11,17H,4-8H2,1H3;2-3,8-9,16H,4-7H2,1H3
InChIKeyNRBJGJJEWJJGMH-UHFFFAOYSA-N
XLogP12.40
TPSA328.74 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001799.11
LogP ≤ 512.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole with MolForge

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Related Compounds

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
(7S)-N-[2-(1-ethylsulfonylazetidin-3-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-ethylsulfonylazetidin-3-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-ethylsulfonylpyrrolidin-3-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 3-[2-[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]ethyl]azetidine-1-carboxylate;methyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylate;(7S)-N-[2-(2-methyl-4-pyridinyl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 157168438
(4R)-1-[5-(aminomethyl)-3H-inden-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157264500
5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(3-acetylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-1-[[2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157268135
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157579703
6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(1H-indol-3-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 157598311
bis((7S)-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide);(7S)-N-[[1-(2-hydroxypropanoyl)piperidin-4-yl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;methyl 4-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]piperidine-1-carboxylate;methyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]pyrrolidine-1-carboxylate;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 157663042
(4-Fluorophenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;(3-methylphenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 157791330
bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one
CID 158252746
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158297385
2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tris(2,2,2-trifluoroacetic acid)
CID 158500869
(7S)-N-[3-amino-2-(methyliminomethyl)prop-2-enyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-piperidin-1-ylethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-2-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158855925

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole?
The IUPAC name of 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole (CID 159860376) is 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole?
The canonical SMILES for 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole is CC(=O)N1CCC(Cc2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CC(=O)N1CCN(Cc2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(C(=O)c2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCC(Cc2c[nH]c3cc(F)ccc23)CC1.CS(=O)(=O)N1CCN(C(=O)c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole?
The InChIKey is NRBJGJJEWJJGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O.C15H16FN3O2.C15H18FN3O.C15H17FN2O3S.C15H19FN2O2S.C14H16FN3O3S/c1-11(20)19-6-4-12(5-7-19)8-13-10-18-16-9-14(17)2-3-15(13)16;1-10(20)18-4-6-19(7-5-18)15(21)13-9-17-14-8-11(16)2-3-12(13)14;1-11(20)19-6-4-18(5-7-19)10-12-9-17-15-8-13(16)2-3-14(12)15;1-22(20,21)18-6-4-10(5-7-18)15(19)13-9-17-14-8-11(16)2-3-12(13)14;1-21(19,20)18-6-4-11(5-7-18)8-12-10-17-15-9-13(16)2-3-14(12)15;1-22(20,21)18-6-4-17(5-7-18)14(19)12-9-16-13-8-10(15)2-3-11(12)13/h2-3,9-10,12,18H,4-8H2,1H3;2-3,8-9,17H,4-7H2,1H3;2-3,8-9,17H,4-7,10H2,1H3;2-3,8-10,17H,4-7H2,1H3;2-3,9-11,17H,4-8H2,1H3;2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole?
1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole has a molecular weight of 1799.11 g/mol, XLogP of 12.40, 13 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperazin-1-yl]ethanone;1-[4-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone;(6-fluoro-1H-indol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone;(6-fluoro-1H-indol-3-yl)-(1-methylsulfonylpiperidin-4-yl)methanone;6-fluoro-3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1H-indole is sourced from PubChem (CID 159860376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).