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

C198H193N19O38S5 — CID 159053932

IUPAC5-(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
SMILESC=C1CCC(N2C(=O)c3ccc(CCC(=O)C4CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc5ncccc5c4)ccc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(OCC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C28H26N2O3.C26H26N2O6S.C25H25N3O6S.C25H25N3O5.C25H24N2O6S.C25H24N2O4S.C24H23N3O4S.C20H20N2O4/c1-18-4-11-26(27(32)13-18)30-17-22-14-19(6-9-24(22)28(30)33)5-8-23(31)16-20-7-10-25-21(15-20)3-2-12-29-25;1-4-35(33,34)19-9-7-18(8-10-19)22(29)12-6-17-5-11-20-21(15-17)24(31)28(23(20)30)26(3)14-13-16(2)27-25(26)32;1-4-35(33,34)17-7-9-20(26-14-17)21(29)10-6-16-5-8-18-19(13-16)23(31)28(22(18)30)25(3)12-11-15(2)27-24(25)32;1-4-33-17-7-9-20(26-14-17)21(29)10-6-16-5-8-18-19(13-16)23(31)28(22(18)30)25(3)12-11-15(2)27-24(25)32;1-3-34(32,33)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;1-15-12-13-25(2,24(31)26-15)27-22(29)19-10-4-16(14-20(19)23(27)30)5-11-21(28)17-6-8-18(32-3)9-7-17;1-14-10-11-24(2,23(31)26-14)27-21(29)17-7-4-15(12-18(17)22(27)30)5-9-20(28)19-8-6-16(32-3)13-25-19;1-11-2-8-16(18(24)21-11)22-19(25)14-7-3-12(10-15(14)20(22)26)4-9-17(23)13-5-6-13/h2-3,6-7,9-10,12,14-15,26H,1,4-5,8,11,13,16-17H2;5,7-11,15H,2,4,6,12-14H2,1,3H3,(H,27,32);5,7-9,13-14H,2,4,6,10-12H2,1,3H3,(H,27,32);5,7-9,13-14H,2,4,6,10-12H2,1,3H3,(H,27,32);5,7-11,14,21H,2-4,6,12-13H2,1H3,(H,26,29);4,6-10,14H,1,5,11-13H2,2-3H3,(H,26,31);4,6-8,12-13H,1,5,9-11H2,2-3H3,(H,26,31);3,7,10,13,16H,1-2,4-6,8-9H2,(H,21,24)/t;26-;2*25-;;25-;24-;/m.000.00./s1
InChIKeyJXPWANFTZDYOKL-GVTUPWRZSA-N
MW3607.15 g/mol
LogP25.30
Rot. Bonds51

About 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

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 (PubChem CID 159053932) has the molecular formula C198H193N19O38S5 and a molecular weight of 3607.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID159053932
Molecular FormulaC198H193N19O38S5
Molecular Weight3607.15 g/mol
Exact Mass3604.24
IUPAC Name5-(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
SMILESC=C1CCC(N2C(=O)c3ccc(CCC(=O)C4CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc5ncccc5c4)ccc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(OCC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cn4)cc3C2=O)C(=O)N1
InChIInChI=1S/C28H26N2O3.C26H26N2O6S.C25H25N3O6S.C25H25N3O5.C25H24N2O6S.C25H24N2O4S.C24H23N3O4S.C20H20N2O4/c1-18-4-11-26(27(32)13-18)30-17-22-14-19(6-9-24(22)28(30)33)5-8-23(31)16-20-7-10-25-21(15-20)3-2-12-29-25;1-4-35(33,34)19-9-7-18(8-10-19)22(29)12-6-17-5-11-20-21(15-17)24(31)28(23(20)30)26(3)14-13-16(2)27-25(26)32;1-4-35(33,34)17-7-9-20(26-14-17)21(29)10-6-16-5-8-18-19(13-16)23(31)28(22(18)30)25(3)12-11-15(2)27-24(25)32;1-4-33-17-7-9-20(26-14-17)21(29)10-6-16-5-8-18-19(13-16)23(31)28(22(18)30)25(3)12-11-15(2)27-24(25)32;1-3-34(32,33)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;1-15-12-13-25(2,24(31)26-15)27-22(29)19-10-4-16(14-20(19)23(27)30)5-11-21(28)17-6-8-18(32-3)9-7-17;1-14-10-11-24(2,23(31)26-14)27-21(29)17-7-4-15(12-18(17)22(27)30)5-9-20(28)19-8-6-16(32-3)13-25-19;1-11-2-8-16(18(24)21-11)22-19(25)14-7-3-12(10-15(14)20(22)26)4-9-17(23)13-5-6-13/h2-3,6-7,9-10,12,14-15,26H,1,4-5,8,11,13,16-17H2;5,7-11,15H,2,4,6,12-14H2,1,3H3,(H,27,32);5,7-9,13-14H,2,4,6,10-12H2,1,3H3,(H,27,32);5,7-9,13-14H,2,4,6,10-12H2,1,3H3,(H,27,32);5,7-11,14,21H,2-4,6,12-13H2,1H3,(H,26,29);4,6-10,14H,1,5,11-13H2,2-3H3,(H,26,31);4,6-8,12-13H,1,5,9-11H2,2-3H3,(H,26,31);3,7,10,13,16H,1-2,4-6,8-9H2,(H,21,24)/t;26-;2*25-;;25-;24-;/m.000.00./s1
InChIKeyJXPWANFTZDYOKL-GVTUPWRZSA-N
XLogP25.30
TPSA802.51 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds51
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003607.15
LogP ≤ 525.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Analyze 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 with MolForge

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Related Compounds

CID 157984825
CID 157984825
5-[3-(4-chlorophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-(3-cyclopropyl-3-oxopropyl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-(5,5-dimethyl-3-oxohexyl)-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-(6-ethylsulfanylpyridazin-3-yl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]pyridine-2-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxoheptyl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-quinolin-2-ylpropyl)isoindole-1,3-dione
CID 157423656
CID 158919169
CID 158919169
CID 158972063
CID 158972063
5-[3-(1-benzothiophen-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(6-ethoxypyridazin-3-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(6-ethoxypyridazin-3-yl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(5-ethoxy-2-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(6-ethoxy-3-pyridinyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(6-ethylsulfanylpyridazin-3-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(4-methoxyphenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione
CID 159067321
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
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1CCC(N2C(=O)c3ccc(CCC(=O)C4CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc5ncccc5c4)ccc3C2=O)C(=O)C1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(OCC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(S(=O)(=O)CC)cn4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cc4)cc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2C(=O)c3ccc(CCC(=O)c4ccc(SC)cn4)cc3C2=O)C(=O)N1.
What is the InChIKey of 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?
The InChIKey is JXPWANFTZDYOKL-GVTUPWRZSA-N. The full InChI is InChI=1S/C28H26N2O3.C26H26N2O6S.C25H25N3O6S.C25H25N3O5.C25H24N2O6S.C25H24N2O4S.C24H23N3O4S.C20H20N2O4/c1-18-4-11-26(27(32)13-18)30-17-22-14-19(6-9-24(22)28(30)33)5-8-23(31)16-20-7-10-25-21(15-20)3-2-12-29-25;1-4-35(33,34)19-9-7-18(8-10-19)22(29)12-6-17-5-11-20-21(15-17)24(31)28(23(20)30)26(3)14-13-16(2)27-25(26)32;1-4-35(33,34)17-7-9-20(26-14-17)21(29)10-6-16-5-8-18-19(13-16)23(31)28(22(18)30)25(3)12-11-15(2)27-24(25)32;1-4-33-17-7-9-20(26-14-17)21(29)10-6-16-5-8-18-19(13-16)23(31)28(22(18)30)25(3)12-11-15(2)27-24(25)32;1-3-34(32,33)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;1-15-12-13-25(2,24(31)26-15)27-22(29)19-10-4-16(14-20(19)23(27)30)5-11-21(28)17-6-8-18(32-3)9-7-17;1-14-10-11-24(2,23(31)26-14)27-21(29)17-7-4-15(12-18(17)22(27)30)5-9-20(28)19-8-6-16(32-3)13-25-19;1-11-2-8-16(18(24)21-11)22-19(25)14-7-3-12(10-15(14)20(22)26)4-9-17(23)13-5-6-13/h2-3,6-7,9-10,12,14-15,26H,1,4-5,8,11,13,16-17H2;5,7-11,15H,2,4,6,12-14H2,1,3H3,(H,27,32);5,7-9,13-14H,2,4,6,10-12H2,1,3H3,(H,27,32);5,7-9,13-14H,2,4,6,10-12H2,1,3H3,(H,27,32);5,7-11,14,21H,2-4,6,12-13H2,1H3,(H,26,29);4,6-10,14H,1,5,11-13H2,2-3H3,(H,26,31);4,6-8,12-13H,1,5,9-11H2,2-3H3,(H,26,31);3,7,10,13,16H,1-2,4-6,8-9H2,(H,21,24)/t;26-;2*25-;;25-;24-;/m.000.00./s1.
What are the key properties of 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?
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 has a molecular weight of 3607.15 g/mol, XLogP of 25.30, 51 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159053932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).