5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione

C223H209BrIN17O41S5 — CID 159101229

IUPAC5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(CCC(=O)Cc4ccc(SC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(C(C)(C)C)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(I)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(OCC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(S(C)(=O)=O)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(Br)cn4)cc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(C)(=O)=O)cc4)cc3C2=O)C(=O)C1
InChIInChI=1S/C27H28N2O4.C26H25NO6S.C25H24N2O5.2C25H24N2O4S.C24H21BrN2O4.C24H22N2O6S.C24H22N2O4S.C23H19IN2O4/c1-16-5-13-22(24(31)28-16)29-25(32)20-12-6-17(15-21(20)26(29)33)7-14-23(30)18-8-10-19(11-9-18)27(2,3)4;1-16-12-13-26(2,23(29)14-16)27-24(30)20-10-4-17(15-21(20)25(27)31)5-11-22(28)18-6-8-19(9-7-18)34(3,32)33;1-3-32-18-9-7-17(8-10-18)22(28)13-6-16-5-11-19-20(14-16)25(31)27(24(19)30)21-12-4-15(2)26-23(21)29;1-15-3-12-22(23(29)26-15)27-24(30)20-11-7-17(14-21(20)25(27)31)4-8-18(28)13-16-5-9-19(32-2)10-6-16;1-3-32-18-9-7-17(8-10-18)22(28)13-6-16-5-11-19-20(14-16)25(31)27(24(19)30)21-12-4-15(2)26-23(21)29;1-14-9-10-24(2,21(29)11-14)27-22(30)17-6-3-15(12-18(17)23(27)31)4-8-20(28)19-7-5-16(25)13-26-19;1-14-3-11-20(22(28)25-14)26-23(29)18-10-4-15(13-19(18)24(26)30)5-12-21(27)16-6-8-17(9-7-16)33(2,31)32;1-14-3-11-20(22(28)25-14)26-23(29)18-10-4-15(13-19(18)24(26)30)5-12-21(27)16-6-8-17(31-2)9-7-16;1-13-2-10-19(21(28)25-13)26-22(29)17-9-3-14(12-18(17)23(26)30)4-11-20(27)15-5-7-16(24)8-6-15/h6,8-12,15,22H,1,5,7,13-14H2,2-4H3,(H,28,31);4,6-10,15H,1,5,11-14H2,2-3H3;5,7-11,14,21H,2-4,6,12-13H2,1H3,(H,26,29);5-7,9-11,14,22H,1,3-4,8,12-13H2,2H3,(H,26,29);5,7-11,14,21H,2-4,6,12-13H2,1H3,(H,26,29);3,5-7,12-13H,1,4,8-11H2,2H3;4,6-10,13,20H,1,3,5,11-12H2,2H3,(H,25,28);4,6-10,13,20H,1,3,5,11-12H2,2H3,(H,25,28);3,5-9,12,19H,1-2,4,10-11H2,(H,25,28)/t;26-;;;;24-;;;/m.0...0.../s1
InChIKeyKDHSCYLISDSPLS-ISCUYHQUSA-N
MW4150.35 g/mol
LogP32.31
Rot. Bonds54

About 5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione

5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione (PubChem CID 159101229) has the molecular formula C223H209BrIN17O41S5 and a molecular weight of 4150.35 g/mol. Its IUPAC name is 5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione
PubChem CID159101229
Molecular FormulaC223H209BrIN17O41S5
Molecular Weight4150.35 g/mol
Exact Mass4146.16
IUPAC Name5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(CCC(=O)Cc4ccc(SC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(C(C)(C)C)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(I)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(OCC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(S(C)(=O)=O)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(Br)cn4)cc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(C)(=O)=O)cc4)cc3C2=O)C(=O)C1
InChIInChI=1S/C27H28N2O4.C26H25NO6S.C25H24N2O5.2C25H24N2O4S.C24H21BrN2O4.C24H22N2O6S.C24H22N2O4S.C23H19IN2O4/c1-16-5-13-22(24(31)28-16)29-25(32)20-12-6-17(15-21(20)26(29)33)7-14-23(30)18-8-10-19(11-9-18)27(2,3)4;1-16-12-13-26(2,23(29)14-16)27-24(30)20-10-4-17(15-21(20)25(27)31)5-11-22(28)18-6-8-19(9-7-18)34(3,32)33;1-3-32-18-9-7-17(8-10-18)22(28)13-6-16-5-11-19-20(14-16)25(31)27(24(19)30)21-12-4-15(2)26-23(21)29;1-15-3-12-22(23(29)26-15)27-24(30)20-11-7-17(14-21(20)25(27)31)4-8-18(28)13-16-5-9-19(32-2)10-6-16;1-3-32-18-9-7-17(8-10-18)22(28)13-6-16-5-11-19-20(14-16)25(31)27(24(19)30)21-12-4-15(2)26-23(21)29;1-14-9-10-24(2,21(29)11-14)27-22(30)17-6-3-15(12-18(17)23(27)31)4-8-20(28)19-7-5-16(25)13-26-19;1-14-3-11-20(22(28)25-14)26-23(29)18-10-4-15(13-19(18)24(26)30)5-12-21(27)16-6-8-17(9-7-16)33(2,31)32;1-14-3-11-20(22(28)25-14)26-23(29)18-10-4-15(13-19(18)24(26)30)5-12-21(27)16-6-8-17(31-2)9-7-16;1-13-2-10-19(21(28)25-13)26-22(29)17-9-3-14(12-18(17)23(26)30)4-11-20(27)15-5-7-16(24)8-6-15/h6,8-12,15,22H,1,5,7,13-14H2,2-4H3,(H,28,31);4,6-10,15H,1,5,11-14H2,2-3H3;5,7-11,14,21H,2-4,6,12-13H2,1H3,(H,26,29);5-7,9-11,14,22H,1,3-4,8,12-13H2,2H3,(H,26,29);5,7-11,14,21H,2-4,6,12-13H2,1H3,(H,26,29);3,5-7,12-13H,1,4,8-11H2,2H3;4,6-10,13,20H,1,3,5,11-12H2,2H3,(H,25,28);4,6-10,13,20H,1,3,5,11-12H2,2H3,(H,25,28);3,5-9,12,19H,1-2,4,10-11H2,(H,25,28)/t;26-;;;;24-;;;/m.0...0.../s1
InChIKeyKDHSCYLISDSPLS-ISCUYHQUSA-N
XLogP32.31
TPSA818.29 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds54
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004150.35
LogP ≤ 532.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Analyze 5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione with MolForge

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Related Compounds

CID 157820447
CID 157820447
CID 157984825
CID 157984825
5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-3H-isoindol-1-one;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione
CID 158354231
5-[3-(4-bromophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-(3-isoquinolin-3-yl-3-oxopropyl)-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]isoindole-1,3-dione
CID 161647633
5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;5-[3-(4-ethylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]-3H-isoindol-1-one;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]propyl]isoindole-1,3-dione
CID 162225440
CID 158919169
CID 158919169
CID 158972063
CID 158972063
5-(3-cyclopropyl-3-oxopropyl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethoxy-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfonylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-5-(3-oxo-4-quinolin-6-ylbutyl)-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione
CID 159053932
CID 159168316
CID 159168316
CID 159732411
CID 159732411
CID 159784776
CID 159784776
5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(6-ethoxy-3-pyridinyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethylsulfanyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(5-ethylsulfonyl-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(5-methylsulfanyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(5-methylsulfonyl-2-pyridinyl)-3-oxopropyl]isoindole-1,3-dione
CID 161750106

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione?
The IUPAC name of 5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione (CID 159101229) is 5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione.
What is the SMILES notation for 5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione?
The canonical SMILES for 5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(CCC(=O)Cc4ccc(SC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(C(C)(C)C)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(I)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(OCC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(S(C)(=O)=O)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(SCC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(Br)cn4)cc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(C)(=O)=O)cc4)cc3C2=O)C(=O)C1.
What is the InChIKey of 5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione?
The InChIKey is KDHSCYLISDSPLS-ISCUYHQUSA-N. The full InChI is InChI=1S/C27H28N2O4.C26H25NO6S.C25H24N2O5.2C25H24N2O4S.C24H21BrN2O4.C24H22N2O6S.C24H22N2O4S.C23H19IN2O4/c1-16-5-13-22(24(31)28-16)29-25(32)20-12-6-17(15-21(20)26(29)33)7-14-23(30)18-8-10-19(11-9-18)27(2,3)4;1-16-12-13-26(2,23(29)14-16)27-24(30)20-10-4-17(15-21(20)25(27)31)5-11-22(28)18-6-8-19(9-7-18)34(3,32)33;1-3-32-18-9-7-17(8-10-18)22(28)13-6-16-5-11-19-20(14-16)25(31)27(24(19)30)21-12-4-15(2)26-23(21)29;1-15-3-12-22(23(29)26-15)27-24(30)20-11-7-17(14-21(20)25(27)31)4-8-18(28)13-16-5-9-19(32-2)10-6-16;1-3-32-18-9-7-17(8-10-18)22(28)13-6-16-5-11-19-20(14-16)25(31)27(24(19)30)21-12-4-15(2)26-23(21)29;1-14-9-10-24(2,21(29)11-14)27-22(30)17-6-3-15(12-18(17)23(27)31)4-8-20(28)19-7-5-16(25)13-26-19;1-14-3-11-20(22(28)25-14)26-23(29)18-10-4-15(13-19(18)24(26)30)5-12-21(27)16-6-8-17(9-7-16)33(2,31)32;1-14-3-11-20(22(28)25-14)26-23(29)18-10-4-15(13-19(18)24(26)30)5-12-21(27)16-6-8-17(31-2)9-7-16;1-13-2-10-19(21(28)25-13)26-22(29)17-9-3-14(12-18(17)23(26)30)4-11-20(27)15-5-7-16(24)8-6-15/h6,8-12,15,22H,1,5,7,13-14H2,2-4H3,(H,28,31);4,6-10,15H,1,5,11-14H2,2-3H3;5,7-11,14,21H,2-4,6,12-13H2,1H3,(H,26,29);5-7,9-11,14,22H,1,3-4,8,12-13H2,2H3,(H,26,29);5,7-11,14,21H,2-4,6,12-13H2,1H3,(H,26,29);3,5-7,12-13H,1,4,8-11H2,2H3;4,6-10,13,20H,1,3,5,11-12H2,2H3,(H,25,28);4,6-10,13,20H,1,3,5,11-12H2,2H3,(H,25,28);3,5-9,12,19H,1-2,4,10-11H2,(H,25,28)/t;26-;;;;24-;;;/m.0...0.../s1.
What are the key properties of 5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione?
5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione has a molecular weight of 4150.35 g/mol, XLogP of 32.31, 54 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-bromo-2-pyridinyl)-3-oxopropyl]-2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]isoindole-1,3-dione;5-[3-(4-tert-butylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-ethylsulfanylphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-iodophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methylsulfanylphenyl)-3-oxobutyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(1S)-1-methyl-4-methylidene-2-oxocyclohexyl]-5-[3-(4-methylsulfonylphenyl)-3-oxopropyl]isoindole-1,3-dione is sourced from PubChem (CID 159101229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).