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

C140H121Cl2N23O15 — CID 159591475

IUPAC6-(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
SMILESC=CC(=O)N1CC(N2Cc3c(-c4c(C)ccc5c4C=NC5)ccc(Cl)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(-c4cc(O)cc5ccccc45)ccc(C)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(-c4cc(O)cc5ccccc45)ccc(Cl)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(C(N)=O)cc(-c4c(C)ccc5[nH]nc(N)c45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4nc(N)nc5ccccc45)cc3C2=O)C1.[C-]#[N+]c1cc2c(cc1-c1c(C)ccc3[nH]ncc13)C(=O)N(C1CN(C(=O)C=C)C1)C2
InChIInChI=1S/C25H22N2O3.C24H19ClN2O3.C23H20ClN3O2.C23H22N6O3.C23H19N5O2.C22H19N5O2/c1-3-23(29)26-12-17(13-26)27-14-22-20(9-8-15(2)24(22)25(27)30)21-11-18(28)10-16-6-4-5-7-19(16)21;1-2-22(29)26-11-15(12-26)27-13-20-18(7-8-21(25)23(20)24(27)30)19-10-16(28)9-14-5-3-4-6-17(14)19;1-3-20(28)26-10-15(11-26)27-12-18-16(6-7-19(24)22(18)23(27)29)21-13(2)4-5-14-8-25-9-17(14)21;1-3-18(30)28-8-13(9-28)29-10-16-14(22(25)31)6-12(7-15(16)23(29)32)19-11(2)4-5-17-20(19)21(24)27-26-17;1-4-21(29)27-11-15(12-27)28-10-14-7-20(24-3)17(8-16(14)23(28)30)22-13(2)5-6-19-18(22)9-25-26-19;1-2-19(28)26-11-15(12-26)27-10-14-8-7-13(9-17(14)21(27)29)20-16-5-3-4-6-18(16)24-22(23)25-20/h3-11,17,28H,1,12-14H2,2H3;2-10,15,28H,1,11-13H2;3-7,9,15H,1,8,10-12H2,2H3;3-7,13H,1,8-10H2,2H3,(H2,25,31)(H3,24,26,27);4-9,15H,1,10-12H2,2H3,(H,25,26);2-9,15H,1,10-12H2,(H2,23,24,25)
InChIKeyMKHJIDFYZMFXQV-UHFFFAOYSA-N
MW2436.56 g/mol
LogP18.94
Rot. Bonds19

About 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

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 (PubChem CID 159591475) has the molecular formula C140H121Cl2N23O15 and a molecular weight of 2436.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID159591475
Molecular FormulaC140H121Cl2N23O15
Molecular Weight2436.56 g/mol
Exact Mass2433.88
IUPAC Name6-(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
SMILESC=CC(=O)N1CC(N2Cc3c(-c4c(C)ccc5c4C=NC5)ccc(Cl)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(-c4cc(O)cc5ccccc45)ccc(C)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(-c4cc(O)cc5ccccc45)ccc(Cl)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(C(N)=O)cc(-c4c(C)ccc5[nH]nc(N)c45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4nc(N)nc5ccccc45)cc3C2=O)C1.[C-]#[N+]c1cc2c(cc1-c1c(C)ccc3[nH]ncc13)C(=O)N(C1CN(C(=O)C=C)C1)C2
InChIInChI=1S/C25H22N2O3.C24H19ClN2O3.C23H20ClN3O2.C23H22N6O3.C23H19N5O2.C22H19N5O2/c1-3-23(29)26-12-17(13-26)27-14-22-20(9-8-15(2)24(22)25(27)30)21-11-18(28)10-16-6-4-5-7-19(16)21;1-2-22(29)26-11-15(12-26)27-13-20-18(7-8-21(25)23(20)24(27)30)19-10-16(28)9-14-5-3-4-6-17(14)19;1-3-20(28)26-10-15(11-26)27-12-18-16(6-7-19(24)22(18)23(27)29)21-13(2)4-5-14-8-25-9-17(14)21;1-3-18(30)28-8-13(9-28)29-10-16-14(22(25)31)6-12(7-15(16)23(29)32)19-11(2)4-5-17-20(19)21(24)27-26-17;1-4-21(29)27-11-15(12-27)28-10-14-7-20(24-3)17(8-16(14)23(28)30)22-13(2)5-6-19-18(22)9-25-26-19;1-2-19(28)26-11-15(12-26)27-10-14-8-7-13(9-17(14)21(27)29)20-16-5-3-4-6-18(16)24-22(23)25-20/h3-11,17,28H,1,12-14H2,2H3;2-10,15,28H,1,11-13H2;3-7,9,15H,1,8,10-12H2,2H3;3-7,13H,1,8-10H2,2H3,(H2,25,31)(H3,24,26,27);4-9,15H,1,10-12H2,2H3,(H,25,26);2-9,15H,1,10-12H2,(H2,23,24,25)
InChIKeyMKHJIDFYZMFXQV-UHFFFAOYSA-N
XLogP18.94
TPSA479.17 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002436.56
LogP ≤ 518.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 157962525
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;bis(4-tert-butylnaphthalen-2-ol);4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butylquinazolin-2-amine;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 158116559
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
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
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;bis(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 159503097
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
6-(2-aminoquinazolin-4-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;4-(3-hydroxynaphthalen-1-yl)-7-methyl-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;5-isocyano-6-(5-methyl-1H-indazol-4-yl)-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-5-carboxamide
CID 160015979
6-(2-chloro-3-fluoro-5-hydroxyphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-ethyl-5-methylpyrimidin-4-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)-4-(2H-tetrazol-5-yl)-3H-isoindol-1-one;6-(5-methyl-2-oxo-1H-pyrimidin-6-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;1-[3-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1H-isoindol-5-yl]-2H-isoquinolin-3-one;4-[3-oxo-2-(1-prop-2-enoylazetidin-3-yl)-1H-isoindol-5-yl]-1H-quinazolin-2-one
CID 160744310
4-tert-butylbenzamide;tert-butylbenzene;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;3-tert-butyl-4-methylphenol;4-tert-butylnaphthalen-2-ol;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 161740669
6-(3-aminopiperidin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;7-(3-hydroxynaphthalen-1-yl)-3-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one;6-(1H-indazol-3-ylamino)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;2-methyl-5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)indazol-3-one;2-methyl-5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylpyrrolidin-3-yl)indazol-3-one;3-oxo-2-(1-prop-2-enoylazetidin-3-yl)-N-pyrrolidin-3-yl-1H-isoindole-5-carboxamide;2-(1-prop-2-enoylazetidin-3-yl)-6-(1H-pyrazol-4-ylamino)-3H-isoindol-1-one
CID 161890703
6-[(1-acetylpyrrolidin-3-yl)amino]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-aminopyrrolidine-1-carbonyl)-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)piperidin-1-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-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindole-4-carboxamide
CID 162056383

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)N1CC(N2Cc3c(-c4c(C)ccc5c4C=NC5)ccc(Cl)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(-c4cc(O)cc5ccccc45)ccc(C)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(-c4cc(O)cc5ccccc45)ccc(Cl)c3C2=O)C1.C=CC(=O)N1CC(N2Cc3c(C(N)=O)cc(-c4c(C)ccc5[nH]nc(N)c45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4nc(N)nc5ccccc45)cc3C2=O)C1.[C-]#[N+]c1cc2c(cc1-c1c(C)ccc3[nH]ncc13)C(=O)N(C1CN(C(=O)C=C)C1)C2.
What is the InChIKey of 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?
The InChIKey is MKHJIDFYZMFXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3.C24H19ClN2O3.C23H20ClN3O2.C23H22N6O3.C23H19N5O2.C22H19N5O2/c1-3-23(29)26-12-17(13-26)27-14-22-20(9-8-15(2)24(22)25(27)30)21-11-18(28)10-16-6-4-5-7-19(16)21;1-2-22(29)26-11-15(12-26)27-13-20-18(7-8-21(25)23(20)24(27)30)19-10-16(28)9-14-5-3-4-6-17(14)19;1-3-20(28)26-10-15(11-26)27-12-18-16(6-7-19(24)22(18)23(27)29)21-13(2)4-5-14-8-25-9-17(14)21;1-3-18(30)28-8-13(9-28)29-10-16-14(22(25)31)6-12(7-15(16)23(29)32)19-11(2)4-5-17-20(19)21(24)27-26-17;1-4-21(29)27-11-15(12-27)28-10-14-7-20(24-3)17(8-16(14)23(28)30)22-13(2)5-6-19-18(22)9-25-26-19;1-2-19(28)26-11-15(12-26)27-10-14-8-7-13(9-17(14)21(27)29)20-16-5-3-4-6-18(16)24-22(23)25-20/h3-11,17,28H,1,12-14H2,2H3;2-10,15,28H,1,11-13H2;3-7,9,15H,1,8,10-12H2,2H3;3-7,13H,1,8-10H2,2H3,(H2,25,31)(H3,24,26,27);4-9,15H,1,10-12H2,2H3,(H,25,26);2-9,15H,1,10-12H2,(H2,23,24,25).
What are the key properties of 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?
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 has a molecular weight of 2436.56 g/mol, XLogP of 18.94, 19 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159591475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).