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Murcko scaffold

Ring system with 5 rings and 29 atoms

32 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
32
With full pages
4
Scaffold SMILES

O=C1CCCCN1c1ccc(N2CCc3cnn(-c4ccccc4)c3C2=O)cc1

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=C1CCCCN1c1ccc(N2CCc3cnn(-c4ccccc4)c3C2=O)cc1

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 32 of 32 chemicals

Apixaban chemical structure, C25H25N5O4, CAS 503612-47-3
Apixaban
CAS 503612-47-3C25H25N5O4
4,5,6,7-Tetrahydro-1-(4-hydroxyphenyl)-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-1H-pyrazolo(3,4-c)pyridine-3-carboxamide chemical structure, C24H23N5O4, CAS 503612-76-8
4,5,6,7-Tetrahydro-1-(4-hydroxyphenyl)-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-1H-pyrazolo(3,4-c)pyridine-3-carboxamide
CAS 503612-76-8C24H23N5O4
1-(4-Hydroxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid chemical structure, C24H22N4O5, CAS 2459302-74-8
1-(4-Hydroxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CAS 2459302-74-8C24H22N4O5
1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-c)pyridine-3-carboxylic acid chemical structure, C25H24N4O5, CAS 503614-92-4
1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-c)pyridine-3-carboxylic acid
CAS 503614-92-4C25H24N4O5
Ethyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate chemical structure, C27H28N4O5, CAS 503614-91-3
Ethyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CAS 503614-91-3C27H28N4O5
1-(4-((~2~H_3_)Methyloxy)phenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-c)pyridine-3-carboxamide chemical structure, C25H25N5O4, CAS 1131996-12-7
1-(4-((~2~H_3_)Methyloxy)phenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-c)pyridine-3-carboxamide
CAS 1131996-12-7C25H25N5O4
Apixaban-13C, d3 chemical structure, C25H25N5O4, CAS 1261393-15-0
Apixaban-13C, d3
CAS 1261393-15-0C25H25N5O4
Methyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-c)pyridine-3-carboxylate chemical structure, C26H26N4O5, CAS 1074365-84-6
Methyl 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-c)pyridine-3-carboxylate
CAS 1074365-84-6C26H26N4O5
N-Formyl-1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide chemical structure, C26H25N5O5, CAS 1351611-14-7
N-Formyl-1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CAS 1351611-14-7C26H25N5O5
Chloroapixaban chemical structure, C24H22ClN5O3, CAS 2029205-64-7
Chloroapixaban
CAS 2029205-64-7C24H22ClN5O3
1-(4-Methoxyphenyl)-6-(4-(2-methyl-6-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide chemical structure, C26H27N5O4, CAS 2098457-92-0
1-(4-Methoxyphenyl)-6-(4-(2-methyl-6-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CAS 2098457-92-0C26H27N5O4
1-(4-Methoxyphenyl)-6-(4-(5-methyl-2-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide chemical structure, C26H27N5O4, CAS 1686149-74-5
1-(4-Methoxyphenyl)-6-(4-(5-methyl-2-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CAS 1686149-74-5C26H27N5O4
O-Demethyl apixaban sulfate chemical structure, C24H23N5O7S, CAS 1118765-14-2
O-Demethyl apixaban sulfate
CAS 1118765-14-2C24H23N5O7S
2-Hydroxyethyl 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-3-carboxylate chemical structure, C27H28N4O6, CAS 1904628-10-9
2-Hydroxyethyl 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CAS 1904628-10-9C27H28N4O6
Apixaban PG ester-II chemical structure, C28H30N4O6, CAS 1904628-11-0
Apixaban PG ester-II
CAS 1904628-11-0C28H30N4O6
Apixaban PG ester-I chemical structure, C28H30N4O6, CAS 1904628-12-1
Apixaban PG ester-I
CAS 1904628-12-1C28H30N4O6
Desmethoxy apixaban chemical structure, C24H23N5O3, CAS 1801881-17-3
Desmethoxy apixaban
CAS 1801881-17-3C24H23N5O3
Ethyl 1-(4-chlorophenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate chemical structure, C26H25ClN4O4, CAS 2029205-62-5
Ethyl 1-(4-chlorophenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CAS 2029205-62-5C26H25ClN4O4
Ethyl 1-(4-methoxyphenyl)-6-(4-(2-methyl-6-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate chemical structure, C28H30N4O5, CAS 2098457-95-3
Ethyl 1-(4-methoxyphenyl)-6-(4-(2-methyl-6-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CAS 2098457-95-3C28H30N4O5
1-(4-Ethoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide chemical structure, C26H27N5O4, CAS 1928718-22-2
1-(4-Ethoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CAS 1928718-22-2C26H27N5O4
Hydroxy O-desmethyl apixaban chemical structure, C24H23N5O5, CAS 2204368-56-7
Hydroxy O-desmethyl apixaban
CAS 2204368-56-7C24H23N5O5
Hydroxy apixaban chemical structure, C25H25N5O5, CAS 2208275-54-9
Hydroxy apixaban
CAS 2208275-54-9C25H25N5O5
N-(3-Aminopropyl)-1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide chemical structure, C28H32N6O4, CAS 2166318-05-2
N-(3-Aminopropyl)-1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CAS 2166318-05-2C28H32N6O4
1-(2-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide chemical structure, C25H25N5O4, CAS 1801881-16-2
1-(2-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CAS 1801881-16-2C25H25N5O4