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

C146H130F6N18O15 — CID 157358855

IUPAC6-(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
SMILESC=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)c(C(F)(F)F)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)c(C)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3CCC2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)c(C(F)(F)F)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)c(C)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)cc3CCC2=O)C1
InChIInChI=1S/C26H24N2O3.C25H19F3N2O3.C25H22N2O3.C24H24N4O2.C23H19F3N4O2.C23H22N4O2/c1-2-25(30)27-15-21(16-27)28-14-20-8-7-19(11-17(20)9-10-26(28)31)24-13-22(29)12-18-5-3-4-6-23(18)24;1-2-21(32)29-12-16(13-29)30-11-15-7-8-19(23(25(26,27)28)22(15)24(30)33)20-10-17(31)9-14-5-3-4-6-18(14)20;1-3-23(29)26-13-18(14-26)27-12-17-8-9-20(15(2)24(17)25(27)30)22-11-19(28)10-16-6-4-5-7-21(16)22;1-3-22(29)27-13-19(14-27)28-12-18-6-5-17(10-16(18)7-9-23(28)30)24-15(2)4-8-21-20(24)11-25-26-21;1-3-18(31)29-10-14(11-29)30-9-13-5-6-15(21(23(24,25)26)20(13)22(30)32)19-12(2)4-7-17-16(19)8-27-28-17;1-4-20(28)26-11-16(12-26)27-10-15-6-7-17(14(3)22(15)23(27)29)21-13(2)5-8-19-18(21)9-24-25-19/h2-8,11-13,21,29H,1,9-10,14-16H2;2-10,16,31H,1,11-13H2;3-11,18,28H,1,12-14H2,2H3;3-6,8,10-11,19H,1,7,9,12-14H2,2H3,(H,25,26);3-8,14H,1,9-11H2,2H3,(H,27,28);4-9,16H,1,10-12H2,2-3H3,(H,24,25)
InChIKeyBIKCEMUQDMKKQV-UHFFFAOYSA-N
MW2490.74 g/mol
LogP22.66
Rot. Bonds18

About 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

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 (PubChem CID 157358855) has the molecular formula C146H130F6N18O15 and a molecular weight of 2490.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID157358855
Molecular FormulaC146H130F6N18O15
Molecular Weight2490.74 g/mol
Exact Mass2488.99
IUPAC Name6-(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
SMILESC=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)c(C(F)(F)F)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)c(C)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3CCC2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)c(C(F)(F)F)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)c(C)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)cc3CCC2=O)C1
InChIInChI=1S/C26H24N2O3.C25H19F3N2O3.C25H22N2O3.C24H24N4O2.C23H19F3N4O2.C23H22N4O2/c1-2-25(30)27-15-21(16-27)28-14-20-8-7-19(11-17(20)9-10-26(28)31)24-13-22(29)12-18-5-3-4-6-23(18)24;1-2-21(32)29-12-16(13-29)30-11-15-7-8-19(23(25(26,27)28)22(15)24(30)33)20-10-17(31)9-14-5-3-4-6-18(14)20;1-3-23(29)26-13-18(14-26)27-12-17-8-9-20(15(2)24(17)25(27)30)22-11-19(28)10-16-6-4-5-7-21(16)22;1-3-22(29)27-13-19(14-27)28-12-18-6-5-17(10-16(18)7-9-23(28)30)24-15(2)4-8-21-20(24)11-25-26-21;1-3-18(31)29-10-14(11-29)30-9-13-5-6-15(21(23(24,25)26)20(13)22(30)32)19-12(2)4-7-17-16(19)8-27-28-17;1-4-20(28)26-11-16(12-26)27-10-15-6-7-17(14(3)22(15)23(27)29)21-13(2)5-8-19-18(21)9-24-25-19/h2-8,11-13,21,29H,1,9-10,14-16H2;2-10,16,31H,1,11-13H2;3-11,18,28H,1,12-14H2,2H3;3-6,8,10-11,19H,1,7,9,12-14H2,2H3,(H,25,26);3-8,14H,1,9-11H2,2H3,(H,27,28);4-9,16H,1,10-12H2,2-3H3,(H,24,25)
InChIKeyBIKCEMUQDMKKQV-UHFFFAOYSA-N
XLogP22.66
TPSA390.45 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002490.74
LogP ≤ 522.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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
2-(2-fluoro-6-hydroxyphenyl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydroisoquinolin-1-one;1-[3-[2-(3-hydroxynaphthalen-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]azetidin-1-yl]prop-2-en-1-one;1-[3-[2-(1H-indazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]azetidin-1-yl]prop-2-en-1-one;2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylpyrrolidin-3-yl)-3,4-dihydroisoquinolin-1-one
CID 158337821
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-(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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)c(C(F)(F)F)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)c(C)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]ncc45)cc3CCC2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)c(C(F)(F)F)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)c(C)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5ccccc45)cc3CCC2=O)C1.
What is the InChIKey of 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?
The InChIKey is BIKCEMUQDMKKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3.C25H19F3N2O3.C25H22N2O3.C24H24N4O2.C23H19F3N4O2.C23H22N4O2/c1-2-25(30)27-15-21(16-27)28-14-20-8-7-19(11-17(20)9-10-26(28)31)24-13-22(29)12-18-5-3-4-6-23(18)24;1-2-21(32)29-12-16(13-29)30-11-15-7-8-19(23(25(26,27)28)22(15)24(30)33)20-10-17(31)9-14-5-3-4-6-18(14)20;1-3-23(29)26-13-18(14-26)27-12-17-8-9-20(15(2)24(17)25(27)30)22-11-19(28)10-16-6-4-5-7-21(16)22;1-3-22(29)27-13-19(14-27)28-12-18-6-5-17(10-16(18)7-9-23(28)30)24-15(2)4-8-21-20(24)11-25-26-21;1-3-18(31)29-10-14(11-29)30-9-13-5-6-15(21(23(24,25)26)20(13)22(30)32)19-12(2)4-7-17-16(19)8-27-28-17;1-4-20(28)26-11-16(12-26)27-10-15-6-7-17(14(3)22(15)23(27)29)21-13(2)5-8-19-18(21)9-24-25-19/h2-8,11-13,21,29H,1,9-10,14-16H2;2-10,16,31H,1,11-13H2;3-11,18,28H,1,12-14H2,2H3;3-6,8,10-11,19H,1,7,9,12-14H2,2H3,(H,25,26);3-8,14H,1,9-11H2,2H3,(H,27,28);4-9,16H,1,10-12H2,2-3H3,(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 2490.74 g/mol, XLogP of 22.66, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157358855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).