6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine

C133H173ClF2N18O7 — CID 159703260

IUPAC6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine
SMILESCC(C)c1c[nH]c2cc(CN)ccc12.CC(C)c1ccccn1.CC(C)n1c(=O)n(C2=CCCCC2)c2ccccc21.CC(C)n1c(CN2CCOCC2)nc2ccccc21.CC(C)n1c2c(c3ccccc31)C(=O)CCC2.CC(C)n1ccc2cc(F)c(Cl)cc21.COC1CN(C(=O)Cc2c(C)n(C(C)C)c3ccccc23)C1.COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1.Cc1cc2cc(F)ccc2n1C(C)C.Cc1cc2cn(C(C)C)nc2cc1C
InChIInChI=1S/C18H24N2O2.C16H20N2O.C15H21N3O.C15H17NO.C14H23N3O2.C12H14FN.2C12H16N2.C11H11ClFN.C8H11N/c1-12(2)20-13(3)16(15-7-5-6-8-17(15)20)9-18(21)19-10-14(11-19)22-4;1-12(2)17-14-10-6-7-11-15(14)18(16(17)19)13-8-4-3-5-9-13;1-12(2)18-14-6-4-3-5-13(14)16-15(18)11-17-7-9-19-10-8-17;1-10(2)16-12-7-4-3-6-11(12)15-13(16)8-5-9-14(15)17;1-9(2)13-6-12(15-17(13)10(3)4)14(18)16-7-11(8-16)19-5;1-8(2)14-9(3)6-10-7-11(13)4-5-12(10)14;1-8(2)14-7-11-5-9(3)10(4)6-12(11)13-14;1-8(2)11-7-14-12-5-9(6-13)3-4-10(11)12;1-7(2)14-4-3-8-5-10(13)9(12)6-11(8)14;1-7(2)8-5-3-4-6-9-8/h5-8,12,14H,9-11H2,1-4H3;6-8,10-12H,3-5,9H2,1-2H3;3-6,12H,7-11H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;6,9-11H,7-8H2,1-5H3;4-8H,1-3H3;5-8H,1-4H3;3-5,7-8,14H,6,13H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3
InChIKeyMXWWHIDLSGOQJX-UHFFFAOYSA-N
MW2209.41 g/mol
LogP30.85
Rot. Bonds20

About 6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine

6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine (PubChem CID 159703260) has the molecular formula C133H173ClF2N18O7 and a molecular weight of 2209.41 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine.

Molecular Properties

Compound Name6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine
PubChem CID159703260
Molecular FormulaC133H173ClF2N18O7
Molecular Weight2209.41 g/mol
Exact Mass2207.34
IUPAC Name6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine
SMILESCC(C)c1c[nH]c2cc(CN)ccc12.CC(C)c1ccccn1.CC(C)n1c(=O)n(C2=CCCCC2)c2ccccc21.CC(C)n1c(CN2CCOCC2)nc2ccccc21.CC(C)n1c2c(c3ccccc31)C(=O)CCC2.CC(C)n1ccc2cc(F)c(Cl)cc21.COC1CN(C(=O)Cc2c(C)n(C(C)C)c3ccccc23)C1.COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1.Cc1cc2cc(F)ccc2n1C(C)C.Cc1cc2cn(C(C)C)nc2cc1C
InChIInChI=1S/C18H24N2O2.C16H20N2O.C15H21N3O.C15H17NO.C14H23N3O2.C12H14FN.2C12H16N2.C11H11ClFN.C8H11N/c1-12(2)20-13(3)16(15-7-5-6-8-17(15)20)9-18(21)19-10-14(11-19)22-4;1-12(2)17-14-10-6-7-11-15(14)18(16(17)19)13-8-4-3-5-9-13;1-12(2)18-14-6-4-3-5-13(14)16-15(18)11-17-7-9-19-10-8-17;1-10(2)16-12-7-4-3-6-11(12)15-13(16)8-5-9-14(15)17;1-9(2)13-6-12(15-17(13)10(3)4)14(18)16-7-11(8-16)19-5;1-8(2)14-9(3)6-10-7-11(13)4-5-12(10)14;1-8(2)14-7-11-5-9(3)10(4)6-12(11)13-14;1-8(2)11-7-14-12-5-9(6-13)3-4-10(11)12;1-7(2)14-4-3-8-5-10(13)9(12)6-11(8)14;1-7(2)8-5-3-4-6-9-8/h5-8,12,14H,9-11H2,1-4H3;6-8,10-12H,3-5,9H2,1-2H3;3-6,12H,7-11H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;6,9-11H,7-8H2,1-5H3;4-8H,1-3H3;5-8H,1-4H3;3-5,7-8,14H,6,13H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3
InChIKeyMXWWHIDLSGOQJX-UHFFFAOYSA-N
XLogP30.85
TPSA243.43 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002209.41
LogP ≤ 530.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine with MolForge

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Related Compounds

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
CID 157944153
CID 157944153
6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-fluoro-4-propan-2-ylbenzene;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindol-6-ol;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 158439513
5-[2-[(1S)-1-[[2-(6-chloro-5-fluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158597748
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(3-methoxyazetidine-1-carbonyl)-3-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(6-fluoro-2-methyl-3H-inden-1-yl)acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 159001521
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(3-methoxyazetidine-1-carbonyl)-3-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(6-fluoro-2-methyl-3H-inden-1-yl)acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 159279657
5-[2-[(1S)-1-[[2-(2-tert-butylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(3-methoxyazetidine-1-carbonyl)-3-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(6-fluoro-2-methyl-3H-inden-1-yl)acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 160067592
CID 161170972
CID 161170972
6-chloro-5-fluoro-1-propan-2-yl-2,3-dihydroindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 162075455
6-[5-(2-butylpiperidin-1-yl)pentanoyl]-2-[(4-methylphenyl)methyl]-3H-isoindol-1-one;1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-4-(cyclohexylmethylamino)butan-1-one;2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(5-methyl-1-phenylpyrazol-3-yl)methyl]acetamide;3-(4-phenylimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one;1-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-propylpyrazole-3-carboxamide;2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]ethanamine;hydrofluoride
CID 158030644
5,6-Dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine
CID 158071015
(2S,4R)-N-[3-(7-acetyl-3H-benzimidazol-5-yl)-2-fluorophenyl]-1-[2-(3-acetylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-[3-(2-aminoethyl)-4-chlorobenzimidazol-5-yl]-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-[4-chloro-2-(1-methoxyethenylamino)-1H-benzimidazol-5-yl]-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 159011204

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine?
The IUPAC name of 6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine (CID 159703260) is 6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine.
What is the SMILES notation for 6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine?
The canonical SMILES for 6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine is CC(C)c1c[nH]c2cc(CN)ccc12.CC(C)c1ccccn1.CC(C)n1c(=O)n(C2=CCCCC2)c2ccccc21.CC(C)n1c(CN2CCOCC2)nc2ccccc21.CC(C)n1c2c(c3ccccc31)C(=O)CCC2.CC(C)n1ccc2cc(F)c(Cl)cc21.COC1CN(C(=O)Cc2c(C)n(C(C)C)c3ccccc23)C1.COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1.Cc1cc2cc(F)ccc2n1C(C)C.Cc1cc2cn(C(C)C)nc2cc1C.
What is the InChIKey of 6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine?
The InChIKey is MXWWHIDLSGOQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.C16H20N2O.C15H21N3O.C15H17NO.C14H23N3O2.C12H14FN.2C12H16N2.C11H11ClFN.C8H11N/c1-12(2)20-13(3)16(15-7-5-6-8-17(15)20)9-18(21)19-10-14(11-19)22-4;1-12(2)17-14-10-6-7-11-15(14)18(16(17)19)13-8-4-3-5-9-13;1-12(2)18-14-6-4-3-5-13(14)16-15(18)11-17-7-9-19-10-8-17;1-10(2)16-12-7-4-3-6-11(12)15-13(16)8-5-9-14(15)17;1-9(2)13-6-12(15-17(13)10(3)4)14(18)16-7-11(8-16)19-5;1-8(2)14-9(3)6-10-7-11(13)4-5-12(10)14;1-8(2)14-7-11-5-9(3)10(4)6-12(11)13-14;1-8(2)11-7-14-12-5-9(6-13)3-4-10(11)12;1-7(2)14-4-3-8-5-10(13)9(12)6-11(8)14;1-7(2)8-5-3-4-6-9-8/h5-8,12,14H,9-11H2,1-4H3;6-8,10-12H,3-5,9H2,1-2H3;3-6,12H,7-11H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;6,9-11H,7-8H2,1-5H3;4-8H,1-3H3;5-8H,1-4H3;3-5,7-8,14H,6,13H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3.
What are the key properties of 6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine?
6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine has a molecular weight of 2209.41 g/mol, XLogP of 30.85, 20 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine is sourced from PubChem (CID 159703260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).