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Murcko scaffold

Ring system with 4 rings and 22 atoms

24 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
24
With full pages
4
Scaffold SMILES

O=C1c2c(cnn2-c2ccccc2)CCN1c1ccccc1

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=C1c2c(cnn2-c2ccccc2)CCN1c1ccccc1

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 24 of 24 chemicals

3-Ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one chemical structure, C20H18FN3O, CAS 6620-48-0
3-Ethyl-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CAS 6620-48-0C20H18FN3O
Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate chemical structure, C22H20N4O6, CAS 536759-91-8
Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CAS 536759-91-8C22H20N4O6
Apixaban impurity 14 chemical structure, C20H18N4O4, CAS 1704504-93-7
Apixaban impurity 14
CAS 1704504-93-7C20H18N4O4
Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate chemical structure, C22H20IN3O4, CAS 473927-64-9
Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate
CAS 473927-64-9C22H20IN3O4
Ethyl 6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo(3,4-c)pyridine-3-carboxylate chemical structure, C22H22N4O4, CAS 503615-07-4
Ethyl 6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo(3,4-c)pyridine-3-carboxylate
CAS 503615-07-4C22H22N4O4
1-(4-Methoxyphenyl)-6-[4-(methylamino)phenyl]-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide chemical structure, C21H21N5O3, CAS 959426-81-4
1-(4-Methoxyphenyl)-6-[4-(methylamino)phenyl]-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CAS 959426-81-4C21H21N5O3
7H-Pyrazolo[3,4-c]pyridin-7-one,3-acetyl-1,4,5,6-tetrahydro-6-(4-iodophenyl)-1-(4-methoxyphenyl)- chemical structure, C21H18IN3O3, CAS 881191-18-0
7H-Pyrazolo[3,4-c]pyridin-7-one,3-acetyl-1,4,5,6-tetrahydro-6-(4-iodophenyl)-1-(4-methoxyphenyl)-
CAS 881191-18-0C21H18IN3O3
Ethyl 6-(4-(5-bromopentanamido)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate chemical structure, C27H29BrN4O5, CAS 881386-12-5
Ethyl 6-(4-(5-bromopentanamido)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CAS 881386-12-5C27H29BrN4O5
Ethyl 6-(4-(5-chloropentanamido)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-c)pyridine-3-carboxylate chemical structure, C27H29ClN4O5, CAS 1421823-20-2
Ethyl 6-(4-(5-chloropentanamido)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-c)pyridine-3-carboxylate
CAS 1421823-20-2C27H29ClN4O5
6-(4-((5-Amino-5-oxopentyl)amino)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide chemical structure, C25H28N6O4, CAS 2187409-01-2
6-(4-((5-Amino-5-oxopentyl)amino)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CAS 2187409-01-2C25H28N6O4
D8G8Kss6SB chemical structure, C25H26BrN5O4, CAS 1437577-94-0
D8G8Kss6SB
CAS 1437577-94-0C25H26BrN5O4
6-(4-(5-Chloropentanamido)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide chemical structure, C25H26ClN5O4, CAS 1449510-64-8
6-(4-(5-Chloropentanamido)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CAS 1449510-64-8C25H26ClN5O4
1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide chemical structure, C20H17N5O5, CAS 1642569-42-3
1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CAS 1642569-42-3C20H17N5O5
6-(4-Aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide chemical structure, C20H19N5O3, CAS 1423803-24-0
6-(4-Aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CAS 1423803-24-0C20H19N5O3
Apixaban open ring acid chemical structure, C25H27N5O5, CAS 2206825-87-6
Apixaban open ring acid
CAS 2206825-87-6C25H27N5O5
5-({4-[3-Carbamoyl-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}amino)pentanoic acid hydrochloride chemical structure, C25H28ClN5O5, CAS 2241139-69-3
5-({4-[3-Carbamoyl-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}amino)pentanoic acid hydrochloride
CAS 2241139-69-3C25H28ClN5O5
Apixaban impurity 15 chemical structure, C21H20N4O4, CAS 1466571-07-2
Apixaban impurity 15
CAS 1466571-07-2C21H20N4O4
Pentanoic-1-14C acid, 5-[[4-[3-(aminocarbonyl)-1,4,5,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[3,4-c]pyridin-6-yl]phenyl]amino]- chemical structure, C25H27N5O5, CAS 1188385-73-0
Pentanoic-1-14C acid, 5-[[4-[3-(aminocarbonyl)-1,4,5,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[3,4-c]pyridin-6-yl]phenyl]amino]-
CAS 1188385-73-0C25H27N5O5
Apixaban impurity 32 chemical structure, C26H29N5O5, CAS 2203740-09-2
Apixaban impurity 32
CAS 2203740-09-2C26H29N5O5
6-[4-(5-Chloro-N-methylpentanamido)phenyl]-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide chemical structure, C26H28ClN5O4, CAS 2470435-82-4
6-[4-(5-Chloro-N-methylpentanamido)phenyl]-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CAS 2470435-82-4C26H28ClN5O4
6-(4-((4-Carboxybutyl)amino)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid chemical structure, C25H26N4O6, CAS 2264018-89-3
6-(4-((4-Carboxybutyl)amino)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid
CAS 2264018-89-3C25H26N4O6
Ethyl 6-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxylate chemical structure, C27H30N4O6, CAS 536759-92-9
Ethyl 6-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CAS 536759-92-9C27H30N4O6
N-Nitroso apixaban amino acid impurity chemical structure, C25H26N6O6, CAS 3094994-84-7
N-Nitroso apixaban amino acid impurity
CAS 3094994-84-7C25H26N6O6
Orb3217315 chemical structure, C27H30N4O6, CAS 2458079-10-0
Orb3217315
CAS 2458079-10-0C27H30N4O6