4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one

C90H82N12O13S — CID 158472294

IUPAC4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3c(OCC4Cc5ccccc5O4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5nccn5c4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cn5ccccc5n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4csc5ccccc45)cccc3C2=O)C(=O)N1
InChIInChI=1S/C23H22N2O4.C23H20N2O3S.2C22H20N4O3/c1-14-9-10-19(22(26)24-14)25-12-18-17(23(25)27)6-4-8-21(18)28-13-16-11-15-5-2-3-7-20(15)29-16;1-14-9-10-19(22(26)24-14)25-11-18-17(23(25)27)6-4-7-20(18)28-12-15-13-29-21-8-3-2-5-16(15)21;1-14-8-9-18(21(27)23-14)26-12-17-16(22(26)28)5-4-6-19(17)29-13-15-11-25-10-3-2-7-20(25)24-15;1-14-5-7-18(21(27)24-14)26-12-17-16(22(26)28)3-2-4-19(17)29-13-15-6-8-20-23-9-10-25(20)11-15/h2-8,16,19H,1,9-13H2,(H,24,26);2-8,13,19H,1,9-12H2,(H,24,26);2-7,10-11,18H,1,8-9,12-13H2,(H,23,27);2-4,6,8-11,18H,1,5,7,12-13H2,(H,24,27)
InChIKeyHGMPMROWDRHCSJ-UHFFFAOYSA-N
MW1571.78 g/mol
LogP12.37
Rot. Bonds16

About 4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one

4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (PubChem CID 158472294) has the molecular formula C90H82N12O13S and a molecular weight of 1571.78 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
PubChem CID158472294
Molecular FormulaC90H82N12O13S
Molecular Weight1571.78 g/mol
Exact Mass1570.58
IUPAC Name4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3c(OCC4Cc5ccccc5O4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5nccn5c4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cn5ccccc5n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4csc5ccccc45)cccc3C2=O)C(=O)N1
InChIInChI=1S/C23H22N2O4.C23H20N2O3S.2C22H20N4O3/c1-14-9-10-19(22(26)24-14)25-12-18-17(23(25)27)6-4-8-21(18)28-13-16-11-15-5-2-3-7-20(15)29-16;1-14-9-10-19(22(26)24-14)25-11-18-17(23(25)27)6-4-7-20(18)28-12-15-13-29-21-8-3-2-5-16(15)21;1-14-8-9-18(21(27)23-14)26-12-17-16(22(26)28)5-4-6-19(17)29-13-15-11-25-10-3-2-7-20(25)24-15;1-14-5-7-18(21(27)24-14)26-12-17-16(22(26)28)3-2-4-19(17)29-13-15-6-8-20-23-9-10-25(20)11-15/h2-8,16,19H,1,9-13H2,(H,24,26);2-8,13,19H,1,9-12H2,(H,24,26);2-7,10-11,18H,1,8-9,12-13H2,(H,23,27);2-4,6,8-11,18H,1,5,7,12-13H2,(H,24,27)
InChIKeyHGMPMROWDRHCSJ-UHFFFAOYSA-N
XLogP12.37
TPSA278.39 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001571.78
LogP ≤ 512.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one with MolForge

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Related Compounds

3-[7-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 158051187
4-[7-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 158695172
4-[7-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;methane;4-[3-oxo-7-[[4-[(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 159759143
4-[7-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[4-(trifluoromethyl)imidazol-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 161424710
4-[[4-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[[2-(4-fluorophenyl)-2-methylmorpholin-4-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 161564714
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91153354
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91229474
N,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide;N,2-dimethyl-6-[2-[(3R)-3-methylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide;6-[2-[(3R,4S)-3,4-dimethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;6-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide
CID 91365551
3-[7-[[4-[[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]morpholin-4-yl]methyl]furan-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138625010
2-cyclopropyl-N-(5-fluoro-4,8-dimethyl-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-(difluoromethyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)phenyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[6-(furan-2-yl)-3-pyridinyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;2-methyl-4-propan-2-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157171687
4-[7-(1-benzothiophen-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(1-benzothiophen-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(2,3-dihydro-1H-inden-5-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(imidazo[1,2-a]pyridin-2-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(imidazo[1,2-a]pyridin-6-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(naphthalen-2-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(quinolin-6-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 157569215
4-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(1,5-dimethylpyrazol-3-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3H-isoindol-1-one;2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one
CID 158210457

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one (CID 158472294) is 4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is C=C1CCC(N2Cc3c(OCC4Cc5ccccc5O4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5nccn5c4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cn5ccccc5n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4csc5ccccc45)cccc3C2=O)C(=O)N1.
What is the InChIKey of 4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
The InChIKey is HGMPMROWDRHCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4.C23H20N2O3S.2C22H20N4O3/c1-14-9-10-19(22(26)24-14)25-12-18-17(23(25)27)6-4-8-21(18)28-13-16-11-15-5-2-3-7-20(15)29-16;1-14-9-10-19(22(26)24-14)25-11-18-17(23(25)27)6-4-7-20(18)28-12-15-13-29-21-8-3-2-5-16(15)21;1-14-8-9-18(21(27)23-14)26-12-17-16(22(26)28)5-4-6-19(17)29-13-15-11-25-10-3-2-7-20(25)24-15;1-14-5-7-18(21(27)24-14)26-12-17-16(22(26)28)3-2-4-19(17)29-13-15-6-8-20-23-9-10-25(20)11-15/h2-8,16,19H,1,9-13H2,(H,24,26);2-8,13,19H,1,9-12H2,(H,24,26);2-7,10-11,18H,1,8-9,12-13H2,(H,23,27);2-4,6,8-11,18H,1,5,7,12-13H2,(H,24,27).
What are the key properties of 4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one?
4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one has a molecular weight of 1571.78 g/mol, XLogP of 12.37, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 158472294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).