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Murcko scaffold

Ring system with 4 rings and 25 atoms

33 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 25
Chemicals: 33
With full pages: 4

Scaffold SMILES

O=C1C(=Cc2c[nH]n(-c3ccccc3)c2=O)C=NN1c1ccccc1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold

Murcko scaffold O=C1C(=Cc2c[nH]n(-c3ccccc3)c2=O)C=NN1c1ccccc1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 33 of 33 chemicals

4-[(1,5-Dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-1,2-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one chemical structure, C21H18N4O2, CAS 15900-11-5

4-[(1,5-Dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-1,2-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one

CAS 15900-11-5C₂₁H₁₈N₄O₂

Benzenesulfonic acid, 4-[4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]- chemical structure, C21H18N4O8S2, CAS 51596-04-4

Benzenesulfonic acid, 4-[4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-

CAS 51596-04-4C₂₁H₁₈N₄O₈S₂

2-(3-Chlorophenyl)-4-((5-hydroxy-3-methyl-1-(m-tolyl)-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one chemical structure, C22H19ClN4O2, CAS 482279-84-5

2-(3-Chlorophenyl)-4-((5-hydroxy-3-methyl-1-(m-tolyl)-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

CAS 482279-84-5C₂₂H₁₉ClN₄O₂

4-((1-(4-Chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one chemical structure, C23H21ClN4O2

4-((1-(4-Chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

C₂₃H₂₁ClN₄O₂

2,4-Dihydro-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-3H-pyrazol-3-one chemical structure, C21H18N4O2, CAS 4174-09-8

2,4-Dihydro-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-3H-pyrazol-3-one

CAS 4174-09-8C₂₁H₁₈N₄O₂

2-(4-Chlorophenyl)-4-[[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-5-methylpyrazol-3-one chemical structure, C23H21ClN4O2, CAS 1015914-95-0

2-(4-Chlorophenyl)-4-[[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-5-methylpyrazol-3-one

CAS 1015914-95-0C₂₃H₂₁ClN₄O₂

4-((1-(3-Chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-5-methyl-2-(p-tolyl)-2,4-dihydro-3H-pyrazol-3-one chemical structure, C22H19ClN4O2, CAS 418806-50-5

4-((1-(3-Chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-5-methyl-2-(p-tolyl)-2,4-dihydro-3H-pyrazol-3-one

CAS 418806-50-5C₂₂H₁₉ClN₄O₂

4-((1-(4-Chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one chemical structure, C21H16ClFN4O2, CAS 899718-53-7

4-((1-(4-Chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

CAS 899718-53-7C₂₁H₁₆ClFN₄O₂

4-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one chemical structure, C21H18N4O2, CAS 61466-03-3

4-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

CAS 61466-03-3C₂₁H₁₈N₄O₂

2-(3-Chlorophenyl)-4-[[2-(4-iodophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-5-methylpyrazol-3-one chemical structure, C21H16ClIN4O2, CAS 482279-82-3

2-(3-Chlorophenyl)-4-[[2-(4-iodophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-5-methylpyrazol-3-one

CAS 482279-82-3C₂₁H₁₆ClIN₄O₂

2-(3-Chlorophenyl)-4-((5-hydroxy-3-methyl-1-(o-tolyl)-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one chemical structure, C22H19ClN4O2, CAS 482279-86-7

2-(3-Chlorophenyl)-4-((5-hydroxy-3-methyl-1-(o-tolyl)-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

CAS 482279-86-7C₂₂H₁₉ClN₄O₂

(Z)-2-(3-Chlorophenyl)-4-((1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one chemical structure, C21H16Cl2N4O2, CAS 1630954-70-9

(Z)-2-(3-Chlorophenyl)-4-((1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

CAS 1630954-70-9C₂₁H₁₆Cl₂N₄O₂

4-((5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-5-(methoxymethyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one chemical structure, C22H20N4O3, CAS 540516-07-2

4-((5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-5-(methoxymethyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

CAS 540516-07-2C₂₂H₂₀N₄O₃

(4Z)-2-(3-Chlorophenyl)-5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]pyrazol-3-one chemical structure, C21H17ClN4O2, CAS 5621-03-4

(4Z)-2-(3-Chlorophenyl)-5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]pyrazol-3-one

CAS 5621-03-4C₂₁H₁₇ClN₄O₂

(4Z)-2-(4-Bromophenyl)-4-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-5-methylpyrazol-3-one chemical structure, C21H16BrClN4O2, CAS 5627-83-8

(4Z)-2-(4-Bromophenyl)-4-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-5-methylpyrazol-3-one

CAS 5627-83-8C₂₁H₁₆BrClN₄O₂

(4Z)-4-[[2-(4-Chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one chemical structure, C23H21ClN4O2, CAS 418806-36-7

(4Z)-4-[[2-(4-Chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one

CAS 418806-36-7C₂₃H₂₁ClN₄O₂

(4Z)-4-[[2-(4-Bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one chemical structure, C23H21BrN4O2, CAS 5636-23-7

(4Z)-4-[[2-(4-Bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one

CAS 5636-23-7C₂₃H₂₁BrN₄O₂

(Z)-4-((1-(3-Chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-3-methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one chemical structure, C22H19ClN4O2

(Z)-4-((1-(3-Chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-3-methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one

C₂₂H₁₉ClN₄O₂

p-(4,5-Dihydro-4-((5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid chemical structure, C21H18N4O8S2

p-(4,5-Dihydro-4-((5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid

C₂₁H₁₈N₄O₈S₂

Benzenesulfonic acid, 4-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt chemical structure, C21H16N4Na2O8S2, CAS 84434-48-0

Benzenesulfonic acid, 4-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt

CAS 84434-48-0C₂₁H₁₆N₄Na₂O₈S₂

Dipotassium p-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate chemical structure, C21H16K2N4O8S2, CAS 94266-02-1

Dipotassium p-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

CAS 94266-02-1C₂₁H₁₆K₂N₄O₈S₂

4-[5-Methyl-4-[(E)-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid chemical structure, C21H18N4O8S2

4-[5-Methyl-4-[(E)-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid

C₂₁H₁₈N₄O₈S₂

Disodium m-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate chemical structure, C21H16N4Na2O8S2, CAS 84100-35-6

Disodium m-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate

CAS 84100-35-6C₂₁H₁₆N₄Na₂O₈S₂

4-(4-((1-(4-Carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazole-4-ylidene)methyl)-5-hydroxy-3-methyl-1H-pyrazole-1-yl)benzoic acid chemical structure, C23H18N4O6, CAS 64137-48-0

4-(4-((1-(4-Carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazole-4-ylidene)methyl)-5-hydroxy-3-methyl-1H-pyrazole-1-yl)benzoic acid

CAS 64137-48-0C₂₃H₁₈N₄O₆