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

C138H128N20O15 — CID 158397306

IUPAC4-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
SMILESC=CC(=O)N1CC(N2Cc3c(CC)cc(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc(C)c4C)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(n2c(=O)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2C)C1.C=CC(=O)N1CC(n2c(=O)c3cc(-c4cc(O)cc5ccccc45)ccc3n2C)C1
InChIInChI=1S/C24H24N4O2.C24H21N3O3.C24H20N2O3.C22H21N5O2.C22H20N4O2.C22H22N2O3/c1-4-15-8-16(23-14(3)6-7-21-19(23)10-25-26-21)9-18-20(15)13-28(24(18)30)17-11-27(12-17)22(29)5-2;1-3-23(29)26-13-17(14-26)27-24(30)21-11-16(8-9-22(21)25(27)2)20-12-18(28)10-15-6-4-5-7-19(15)20;1-2-23(28)25-13-18(14-25)26-12-17-8-7-16(10-22(17)24(26)29)21-11-19(27)9-15-5-3-4-6-20(15)21;1-4-20(28)26-11-15(12-26)27-22(29)16-9-14(6-8-19(16)25(27)3)21-13(2)5-7-18-17(21)10-23-24-18;1-3-20(27)25-11-16(12-25)26-10-15-6-5-14(8-17(15)22(26)28)21-13(2)4-7-19-18(21)9-23-24-19;1-4-21(26)23-11-17(12-23)24-10-16-6-5-15(8-20(16)22(24)27)19-9-18(25)7-13(2)14(19)3/h5-10,17H,2,4,11-13H2,1,3H3,(H,25,26);3-12,17,28H,1,13-14H2,2H3;2-11,18,27H,1,12-14H2;4-10,15H,1,11-12H2,2-3H3,(H,23,24);3-9,16H,1,10-12H2,2H3,(H,23,24);4-9,17,25H,1,10-12H2,2-3H3
InChIKeyGXQZGLMXDYYLND-UHFFFAOYSA-N
MW2306.67 g/mol
LogP19.13
Rot. Bonds19

About 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

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 (PubChem CID 158397306) has the molecular formula C138H128N20O15 and a molecular weight of 2306.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID158397306
Molecular FormulaC138H128N20O15
Molecular Weight2306.67 g/mol
Exact Mass2304.99
IUPAC Name4-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
SMILESC=CC(=O)N1CC(N2Cc3c(CC)cc(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc(C)c4C)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(n2c(=O)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2C)C1.C=CC(=O)N1CC(n2c(=O)c3cc(-c4cc(O)cc5ccccc45)ccc3n2C)C1
InChIInChI=1S/C24H24N4O2.C24H21N3O3.C24H20N2O3.C22H21N5O2.C22H20N4O2.C22H22N2O3/c1-4-15-8-16(23-14(3)6-7-21-19(23)10-25-26-21)9-18-20(15)13-28(24(18)30)17-11-27(12-17)22(29)5-2;1-3-23(29)26-13-17(14-26)27-24(30)21-11-16(8-9-22(21)25(27)2)20-12-18(28)10-15-6-4-5-7-19(15)20;1-2-23(28)25-13-18(14-25)26-12-17-8-7-16(10-22(17)24(26)29)21-11-19(27)9-15-5-3-4-6-20(15)21;1-4-20(28)26-11-15(12-26)27-22(29)16-9-14(6-8-19(16)25(27)3)21-13(2)5-7-18-17(21)10-23-24-18;1-3-20(27)25-11-16(12-25)26-10-15-6-5-14(8-17(15)22(26)28)21-13(2)4-7-19-18(21)9-23-24-19;1-4-21(26)23-11-17(12-23)24-10-16-6-5-15(8-20(16)22(24)27)19-9-18(25)7-13(2)14(19)3/h5-10,17H,2,4,11-13H2,1,3H3,(H,25,26);3-12,17,28H,1,13-14H2,2H3;2-11,18,27H,1,12-14H2;4-10,15H,1,11-12H2,2-3H3,(H,23,24);3-9,16H,1,10-12H2,2H3,(H,23,24);4-9,17,25H,1,10-12H2,2-3H3
InChIKeyGXQZGLMXDYYLND-UHFFFAOYSA-N
XLogP19.13
TPSA403.69 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002306.67
LogP ≤ 519.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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 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-hydroxy-6-[3-hydroxy-7-[[6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-4-yl]oxy]naphthalen-1-yl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 142320822
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
4-[(3-hydroxynaphthalen-1-yl)amino]-6-(1-prop-2-enoylazetidin-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[(5-methyl-1H-indazol-4-yl)amino]-6-(1-prop-2-enoylazetidin-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157707942
7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(3-hydroxynaphthalen-1-yl)-2-methyl-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one;5-(3-hydroxynaphthalen-1-yl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;2-methyl-5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one
CID 157893207
1-[3-[2-(3-hydroxynaphthalen-1-yl)-3,4-dihydro-1H-isoquinolin-6-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[2-(3-hydroxynaphthalen-1-yl)-1H-indol-5-yl]azetidin-1-yl]prop-2-en-1-one;2-(3-hydroxynaphthalen-1-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;1-[3-[2-(5-methyl-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]azetidin-1-yl]prop-2-en-1-one;2-(5-methyl-1H-indazol-4-yl)-5-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 158543226
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
4-cyclopropyl-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(dimethylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-[(dimethylamino)methyl]-6-(5-methyl-1H-indazol-4-yl)-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;4-(methylamino)-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 158747776
5-(2-fluoro-6-hydroxyphenyl)-2-methyl-1-(1-prop-2-enoylpiperidin-4-yl)indazol-3-one;7-[(3-hydroxynaphthalen-1-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpiperidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;2-methyl-6-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one
CID 158791409
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)N1CC(N2Cc3c(CC)cc(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc(C)c4C)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(n2c(=O)c3cc(-c4c(C)ccc5[nH]ncc45)ccc3n2C)C1.C=CC(=O)N1CC(n2c(=O)c3cc(-c4cc(O)cc5ccccc45)ccc3n2C)C1.
What is the InChIKey of 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?
The InChIKey is GXQZGLMXDYYLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2.C24H21N3O3.C24H20N2O3.C22H21N5O2.C22H20N4O2.C22H22N2O3/c1-4-15-8-16(23-14(3)6-7-21-19(23)10-25-26-21)9-18-20(15)13-28(24(18)30)17-11-27(12-17)22(29)5-2;1-3-23(29)26-13-17(14-26)27-24(30)21-11-16(8-9-22(21)25(27)2)20-12-18(28)10-15-6-4-5-7-19(15)20;1-2-23(28)25-13-18(14-25)26-12-17-8-7-16(10-22(17)24(26)29)21-11-19(27)9-15-5-3-4-6-20(15)21;1-4-20(28)26-11-15(12-26)27-22(29)16-9-14(6-8-19(16)25(27)3)21-13(2)5-7-18-17(21)10-23-24-18;1-3-20(27)25-11-16(12-25)26-10-15-6-5-14(8-17(15)22(26)28)21-13(2)4-7-19-18(21)9-23-24-19;1-4-21(26)23-11-17(12-23)24-10-16-6-5-15(8-20(16)22(24)27)19-9-18(25)7-13(2)14(19)3/h5-10,17H,2,4,11-13H2,1,3H3,(H,25,26);3-12,17,28H,1,13-14H2,2H3;2-11,18,27H,1,12-14H2;4-10,15H,1,11-12H2,2-3H3,(H,23,24);3-9,16H,1,10-12H2,2H3,(H,23,24);4-9,17,25H,1,10-12H2,2-3H3.
What are the key properties of 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?
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 has a molecular weight of 2306.67 g/mol, XLogP of 19.13, 19 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158397306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).