6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide

C139H115ClF2N16O18 — CID 158891831

IUPAC6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)N1CC(N2C(=O)c3ccc(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(C#N)cc(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(C(N)=O)cc(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3cc(F)c(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3cc(F)c(-c4cc(O)ccc4Cl)cc3C2=O)C1.C=CC(=O)NCCN1Cc2ccc(-c3c(C)ccc4[nH]ncc34)cc2C1
InChIInChI=1S/C25H21N3O4.C25H19N3O3.C24H19FN2O3.C24H18N2O4.C21H22N4O.C20H16ClFN2O3/c1-2-23(30)27-11-16(12-27)28-13-22-20(24(26)31)8-15(9-21(22)25(28)32)19-10-17(29)7-14-5-3-4-6-18(14)19;1-2-24(30)27-12-18(13-27)28-14-23-17(11-26)7-16(9-22(23)25(28)31)21-10-19(29)8-15-5-3-4-6-20(15)21;1-2-23(29)26-12-16(13-26)27-11-15-8-22(25)21(10-19(15)24(27)30)20-9-17(28)7-14-5-3-4-6-18(14)20;1-2-22(28)25-12-16(13-25)26-23(29)19-8-7-15(10-21(19)24(26)30)20-11-17(27)9-14-5-3-4-6-18(14)20;1-3-20(26)22-8-9-25-12-16-6-5-15(10-17(16)13-25)21-14(2)4-7-19-18(21)11-23-24-19;1-2-19(26)23-9-12(10-23)24-8-11-5-18(22)16(7-14(11)20(24)27)15-6-13(25)3-4-17(15)21/h2-10,16,29H,1,11-13H2,(H2,26,31);2-10,18,29H,1,12-14H2;2-10,16,28H,1,11-13H2;2-11,16,27H,1,12-13H2;3-7,10-11H,1,8-9,12-13H2,2H3,(H,22,26)(H,23,24);2-7,12,25H,1,8-10H2
InChIKeyJEIIJCXEFHGPOH-UHFFFAOYSA-N
MW2370.99 g/mol
LogP19.37
Rot. Bonds21

About 6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide

6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide (PubChem CID 158891831) has the molecular formula C139H115ClF2N16O18 and a molecular weight of 2370.99 g/mol. Its IUPAC name is 6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide
PubChem CID158891831
Molecular FormulaC139H115ClF2N16O18
Molecular Weight2370.99 g/mol
Exact Mass2368.82
IUPAC Name6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)N1CC(N2C(=O)c3ccc(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(C#N)cc(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(C(N)=O)cc(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3cc(F)c(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3cc(F)c(-c4cc(O)ccc4Cl)cc3C2=O)C1.C=CC(=O)NCCN1Cc2ccc(-c3c(C)ccc4[nH]ncc34)cc2C1
InChIInChI=1S/C25H21N3O4.C25H19N3O3.C24H19FN2O3.C24H18N2O4.C21H22N4O.C20H16ClFN2O3/c1-2-23(30)27-11-16(12-27)28-13-22-20(24(26)31)8-15(9-21(22)25(28)32)19-10-17(29)7-14-5-3-4-6-18(14)19;1-2-24(30)27-12-18(13-27)28-14-23-17(11-26)7-16(9-22(23)25(28)31)21-10-19(29)8-15-5-3-4-6-20(15)21;1-2-23(29)26-12-16(13-26)27-11-15-8-22(25)21(10-19(15)24(27)30)20-9-17(28)7-14-5-3-4-6-18(14)20;1-2-22(28)25-12-16(13-25)26-23(29)19-8-7-15(10-21(19)24(26)30)20-11-17(27)9-14-5-3-4-6-18(14)20;1-3-20(26)22-8-9-25-12-16-6-5-15(10-17(16)13-25)21-14(2)4-7-19-18(21)11-23-24-19;1-2-19(26)23-9-12(10-23)24-8-11-5-18(22)16(7-14(11)20(24)27)15-6-13(25)3-4-17(15)21/h2-10,16,29H,1,11-13H2,(H2,26,31);2-10,18,29H,1,12-14H2;2-10,16,28H,1,11-13H2;2-11,16,27H,1,12-13H2;3-7,10-11H,1,8-9,12-13H2,2H3,(H,22,26)(H,23,24);2-7,12,25H,1,8-10H2
InChIKeyJEIIJCXEFHGPOH-UHFFFAOYSA-N
XLogP19.37
TPSA449.22 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002370.99
LogP ≤ 519.37
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide with MolForge

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Related Compounds

6-(3-hydroxynaphthalen-1-yl)-7-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4,5-dihydro-1H-2-benzazepin-3-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7-(trifluoromethyl)-3H-isoindol-1-one;7-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-4,5-dihydro-1H-2-benzazepin-3-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7-(trifluoromethyl)-3H-isoindol-1-one;7-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 157358855
5-(3-hydroxynaphthalen-1-yl)-1-methyl-2-(1-prop-2-enoylazetidin-3-yl)indazol-3-one;6-(3-hydroxynaphthalen-1-yl)-7-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7-(trifluoromethyl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-7-(trifluoromethyl)-3H-isoindol-1-one;1-methyl-5-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)indazol-3-one;7-methyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 160367065
N-[[7-(3-hydroxynaphthalen-1-yl)-3-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1H-isoindol-4-yl]methyl]-6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide
CID 134413175
4-cyclopropyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-ethyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(hydroxymethyl)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 157159587
6-(3-amino-5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-chloro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-fluoro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-isocyano-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-(2-oxo-1H-pyridin-3-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;2-(1-prop-2-enoylazetidin-3-yl)-6-(1H-pyrazol-4-yl)-3H-isoindol-1-one
CID 157416997
4-ethyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-(3-hydroxynaphthalen-1-yl)-1-methyl-2-(1-prop-2-enoylazetidin-3-yl)indazol-3-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;1-methyl-5-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)indazol-3-one
CID 158397306
1-[3-[5-(3-hydroxynaphthalen-1-yl)-1,3-dihydroisoindol-2-yl]azetidin-1-yl]prop-2-en-1-one;6-(1H-indazol-7-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-isocyanophenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[4-(methylamino)phenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;3-[3-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1H-isoindol-5-yl]benzamide;6-(6-oxo-1H-pyridin-2-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 158619480
6-[(1-acetylpiperidin-3-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-chloro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-fluoro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxypiperidin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1H-pyridin-3-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;2-(1-prop-2-enoylazetidin-3-yl)-6-(1H-pyrazol-4-yl)-3H-isoindol-1-one
CID 159137071
6-(3-aminopyrrolidine-1-carbonyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[3-(dimethylamino)piperidin-1-yl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-fluoro-6-hydroxyphenyl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-5H-pyrrolo[3,4-b]pyridin-7-one;6-(4-isocyanophenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;4-[3-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1H-isoindol-5-yl]benzamide
CID 159257366
6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroisoquinolin-3-one;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylpiperidin-3-yl)-3H-isoindol-1-one;6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 159417797
6-[(1-acetylpiperidin-3-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[(1-acetylpyrrolidin-3-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxypiperidin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 160554759
2-(1-buta-1,3-dien-2-ylpyrrolidin-3-yl)-6-(5-methyl-1H-indazol-4-yl)-1-oxo-3H-isoindole-4-carboxamide;6-(2-fluoro-6-hydroxyphenyl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-5H-pyrrolo[3,4-b]pyridin-7-one;6-(4-isocyanophenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[3-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1H-isoindol-5-yl]benzamide;3-oxo-2-(1-prop-2-enoylazetidin-3-yl)-N-(1H-pyrazol-4-yl)-1H-isoindole-5-carboxamide
CID 160853861

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide?
The IUPAC name of 6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide (CID 158891831) is 6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide.
What is the SMILES notation for 6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide?
The canonical SMILES for 6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide is C=CC(=O)N1CC(N2C(=O)c3ccc(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(C#N)cc(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(C(N)=O)cc(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3cc(F)c(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3cc(F)c(-c4cc(O)ccc4Cl)cc3C2=O)C1.C=CC(=O)NCCN1Cc2ccc(-c3c(C)ccc4[nH]ncc34)cc2C1.
What is the InChIKey of 6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide?
The InChIKey is JEIIJCXEFHGPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4.C25H19N3O3.C24H19FN2O3.C24H18N2O4.C21H22N4O.C20H16ClFN2O3/c1-2-23(30)27-11-16(12-27)28-13-22-20(24(26)31)8-15(9-21(22)25(28)32)19-10-17(29)7-14-5-3-4-6-18(14)19;1-2-24(30)27-12-18(13-27)28-14-23-17(11-26)7-16(9-22(23)25(28)31)21-10-19(29)8-15-5-3-4-6-20(15)21;1-2-23(29)26-12-16(13-26)27-11-15-8-22(25)21(10-19(15)24(27)30)20-9-17(28)7-14-5-3-4-6-18(14)20;1-2-22(28)25-12-16(13-25)26-23(29)19-8-7-15(10-21(19)24(26)30)20-11-17(27)9-14-5-3-4-6-18(14)20;1-3-20(26)22-8-9-25-12-16-6-5-15(10-17(16)13-25)21-14(2)4-7-19-18(21)11-23-24-19;1-2-19(26)23-9-12(10-23)24-8-11-5-18(22)16(7-14(11)20(24)27)15-6-13(25)3-4-17(15)21/h2-10,16,29H,1,11-13H2,(H2,26,31);2-10,18,29H,1,12-14H2;2-10,16,28H,1,11-13H2;2-11,16,27H,1,12-13H2;3-7,10-11H,1,8-9,12-13H2,2H3,(H,22,26)(H,23,24);2-7,12,25H,1,8-10H2.
What are the key properties of 6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide?
6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide has a molecular weight of 2370.99 g/mol, XLogP of 19.37, 21 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-hydroxyphenyl)-5-fluoro-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-fluoro-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carbonitrile;6-(3-hydroxynaphthalen-1-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;5-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)isoindole-1,3-dione;N-[2-[5-(5-methyl-1H-indazol-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 158891831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).