7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one

C141H126ClN21O15 — CID 159927871

IUPAC7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
SMILESC=CC(=O)N1CC(N2CCC(=O)c3cc(-c4cc(O)cc5ccccc45)ccc3C2)C1.C=CC(=O)N1CC(N2Cc3cc(C(N)=O)c(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3cc(C)c(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)c(Cl)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cccc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3cncc(Nc4c(C)ccc5[nH]ncc45)c3C2=O)C1
InChIInChI=1S/C26H24N2O3.C25H22N2O3.C24H20N2O2.C23H21N5O3.C22H19ClN4O2.C21H20N6O2/c1-2-26(31)28-15-20(16-28)27-10-9-25(30)24-12-18(7-8-19(24)14-27)23-13-21(29)11-17-5-3-4-6-22(17)23;1-3-24(29)26-13-18(14-26)27-12-17-8-15(2)21(11-22(17)25(27)30)23-10-19(28)9-16-6-4-5-7-20(16)23;1-2-23(27)25-14-19(15-25)26-13-18-11-10-17(12-22(18)24(26)28)21-9-5-7-16-6-3-4-8-20(16)21;1-3-20(29)27-10-14(11-27)28-9-13-6-17(22(24)30)16(7-15(13)23(28)31)21-12(2)4-5-19-18(21)8-25-26-19;1-3-18(28)26-10-14(11-26)27-9-13-5-6-15(21(23)20(13)22(27)29)19-12(2)4-7-17-16(19)8-24-25-17;1-3-18(28)26-10-14(11-26)27-9-13-6-22-8-17(19(13)21(27)29)24-20-12(2)4-5-16-15(20)7-23-25-16/h2-8,11-13,20,29H,1,9-10,14-16H2;3-11,18,28H,1,12-14H2,2H3;2-12,19H,1,13-15H2;3-8,14H,1,9-11H2,2H3,(H2,24,30)(H,25,26);3-8,14H,1,9-11H2,2H3,(H,24,25);3-8,14,24H,1,9-11H2,2H3,(H,23,25)
InChIKeyNZGHTMXIJRRBQG-UHFFFAOYSA-N
MW2390.14 g/mol
LogP19.63
Rot. Bonds20

About 7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one

7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one (PubChem CID 159927871) has the molecular formula C141H126ClN21O15 and a molecular weight of 2390.14 g/mol. Its IUPAC name is 7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
PubChem CID159927871
Molecular FormulaC141H126ClN21O15
Molecular Weight2390.14 g/mol
Exact Mass2387.94
IUPAC Name7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
SMILESC=CC(=O)N1CC(N2CCC(=O)c3cc(-c4cc(O)cc5ccccc45)ccc3C2)C1.C=CC(=O)N1CC(N2Cc3cc(C(N)=O)c(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3cc(C)c(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)c(Cl)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cccc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3cncc(Nc4c(C)ccc5[nH]ncc45)c3C2=O)C1
InChIInChI=1S/C26H24N2O3.C25H22N2O3.C24H20N2O2.C23H21N5O3.C22H19ClN4O2.C21H20N6O2/c1-2-26(31)28-15-20(16-28)27-10-9-25(30)24-12-18(7-8-19(24)14-27)23-13-21(29)11-17-5-3-4-6-22(17)23;1-3-24(29)26-13-18(14-26)27-12-17-8-15(2)21(11-22(17)25(27)30)23-10-19(28)9-16-6-4-5-7-20(16)23;1-2-23(27)25-14-19(15-25)26-13-18-11-10-17(12-22(18)24(26)28)21-9-5-7-16-6-3-4-8-20(16)21;1-3-20(29)27-10-14(11-27)28-9-13-6-17(22(24)30)16(7-15(13)23(28)31)21-12(2)4-5-19-18(21)8-25-26-19;1-3-18(28)26-10-14(11-26)27-9-13-5-6-15(21(23)20(13)22(27)29)19-12(2)4-7-17-16(19)8-24-25-17;1-3-18(28)26-10-14(11-26)27-9-13-6-22-8-17(19(13)21(27)29)24-20-12(2)4-5-16-15(20)7-23-25-16/h2-8,11-13,20,29H,1,9-10,14-16H2;3-11,18,28H,1,12-14H2,2H3;2-12,19H,1,13-15H2;3-8,14H,1,9-11H2,2H3,(H2,24,30)(H,25,26);3-8,14H,1,9-11H2,2H3,(H,24,25);3-8,14,24H,1,9-11H2,2H3,(H,23,25)
InChIKeyNZGHTMXIJRRBQG-UHFFFAOYSA-N
XLogP19.63
TPSA438.23 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002390.14
LogP ≤ 519.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one with MolForge

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Related Compounds

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
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
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
6-(1H-benzimidazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-chloro-5-hydroxyphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-hydroxy-6-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-hydroxy-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;2-[3-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1H-isoindol-5-yl]benzamide
CID 158434670
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
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-aminoimidazol-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-amino-5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;6-(6-amino-3-methyl-2-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-amino-4H-pyrazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-chloro-4-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-chloro-4-(5-methyl-1H-isoindol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1H-2lambda6,1,3-benzothiadiazol-3-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 158879630
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-amino-5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide;6-(2-aminoquinazolin-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-chloro-4-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-chloro-4-(5-methyl-1H-isoindol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;4-(3-hydroxynaphthalen-1-yl)-7-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;5-isocyano-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 159591475

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one (CID 159927871) is 7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one is C=CC(=O)N1CC(N2CCC(=O)c3cc(-c4cc(O)cc5ccccc45)ccc3C2)C1.C=CC(=O)N1CC(N2Cc3cc(C(N)=O)c(-c4c(C)ccc5[nH]ncc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3cc(C)c(-c4cc(O)cc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)c(Cl)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cccc5ccccc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3cncc(Nc4c(C)ccc5[nH]ncc45)c3C2=O)C1.
What is the InChIKey of 7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one?
The InChIKey is NZGHTMXIJRRBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3.C25H22N2O3.C24H20N2O2.C23H21N5O3.C22H19ClN4O2.C21H20N6O2/c1-2-26(31)28-15-20(16-28)27-10-9-25(30)24-12-18(7-8-19(24)14-27)23-13-21(29)11-17-5-3-4-6-22(17)23;1-3-24(29)26-13-18(14-26)27-12-17-8-15(2)21(11-22(17)25(27)30)23-10-19(28)9-16-6-4-5-7-20(16)23;1-2-23(27)25-14-19(15-25)26-13-18-11-10-17(12-22(18)24(26)28)21-9-5-7-16-6-3-4-8-20(16)21;1-3-20(29)27-10-14(11-27)28-9-13-6-17(22(24)30)16(7-15(13)23(28)31)21-12(2)4-5-19-18(21)8-25-26-19;1-3-18(28)26-10-14(11-26)27-9-13-5-6-15(21(23)20(13)22(27)29)19-12(2)4-7-17-16(19)8-24-25-17;1-3-18(28)26-10-14(11-26)27-9-13-6-22-8-17(19(13)21(27)29)24-20-12(2)4-5-16-15(20)7-23-25-16/h2-8,11-13,20,29H,1,9-10,14-16H2;3-11,18,28H,1,12-14H2,2H3;2-12,19H,1,13-15H2;3-8,14H,1,9-11H2,2H3,(H2,24,30)(H,25,26);3-8,14H,1,9-11H2,2H3,(H,24,25);3-8,14,24H,1,9-11H2,2H3,(H,23,25).
What are the key properties of 7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one?
7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one has a molecular weight of 2390.14 g/mol, XLogP of 19.63, 20 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxynaphthalen-1-yl)-5-methyl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-1H-2-benzazepin-5-one;7-[(5-methyl-1H-indazol-4-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-pyrrolo[3,4-c]pyridin-1-one;6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-5-carboxamide;6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 159927871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).