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Murcko scaffold

Ring system with 5 rings and 29 atoms

61 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
61
With full pages
5
Scaffold SMILES

O=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1

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=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1

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 48 of 61 chemicals

6-Bromo-8-cyclopentyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one chemical structure, C21H24BrN7O, CAS 759455-28-2
6-Bromo-8-cyclopentyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CAS 759455-28-2C21H24BrN7O
8-Cyclopentyl-6-fluoro-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one chemical structure, C21H24FN7O, CAS 740080-74-4
8-Cyclopentyl-6-fluoro-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CAS 740080-74-4C21H24FN7O
8-Cyclopentyl-6-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one chemical structure, C22H27N7O, CAS 705249-63-4
8-Cyclopentyl-6-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CAS 705249-63-4C22H27N7O
8-Cyclopentyl-6-(hydroxymethyl)-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one chemical structure, C22H27N7O2, CAS 724700-71-4
8-Cyclopentyl-6-(hydroxymethyl)-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CAS 724700-71-4C22H27N7O2
Pyrido[2,3-d]pyriMidin-7(8H)-one, 8-cyclopentyl-5-Methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]aMino]- chemical structure, C22H27N7O, CAS 571190-22-2
Pyrido[2,3-d]pyriMidin-7(8H)-one, 8-cyclopentyl-5-Methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]aMino]-
CAS 571190-22-2C22H27N7O
6-Bromo-8-cyclopentyl-5-methyl-2-(5-piperizin-1-yl-pyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one Hydrochloride chemical structure, C22H26BrN7O, CAS 851067-56-6
6-Bromo-8-cyclopentyl-5-methyl-2-(5-piperizin-1-yl-pyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one Hydrochloride
CAS 851067-56-6C22H26BrN7O
Palbociclib chemical structure, C24H29N7O2, CAS 571190-30-2
Palbociclib
CAS 571190-30-2C24H29N7O2
Pyrido-[2,3-d]-pyrimidin-7-one 44 chemical structure, C25H31N7O3, CAS 773846-18-7
Pyrido-[2,3-d]-pyrimidin-7-one 44
CAS 773846-18-7C25H31N7O3
6-Acetyl-8-cyclopentyl-5-methyl-2-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-8H-pyrido(2,3-d)pyrimidin-7-one chemical structure, C25H31N7O2, CAS 571189-51-0
6-Acetyl-8-cyclopentyl-5-methyl-2-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-8H-pyrido(2,3-d)pyrimidin-7-one
CAS 571189-51-0C25H31N7O2
Ethyl 2-((5-(4-(tert-butoxycarbonyl)piperazin-1-yl)pyridin-2-yl)amino)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate chemical structure, C30H39N7O5, CAS 571189-03-2
Ethyl 2-((5-(4-(tert-butoxycarbonyl)piperazin-1-yl)pyridin-2-yl)amino)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CAS 571189-03-2C30H39N7O5
tert-Butyl 4-(6-((8-cyclopentyl-5-Methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyriMidin-2-yl)aMino)pyridin-3-yl)piperazine-1-carboxylate chemical structure, C27H35N7O3, CAS 571189-65-6
tert-Butyl 4-(6-((8-cyclopentyl-5-Methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyriMidin-2-yl)aMino)pyridin-3-yl)piperazine-1-carboxylate
CAS 571189-65-6C27H35N7O3
tert-Butyl 4-(6-(8-cyclopentyl-7,8-dihydro-6-iodo-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-ylamino)pyridin-3-yl)piperazine-1-carboxylate chemical structure, C27H34IN7O3, CAS 571189-22-5
tert-Butyl 4-(6-(8-cyclopentyl-7,8-dihydro-6-iodo-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-ylamino)pyridin-3-yl)piperazine-1-carboxylate
CAS 571189-22-5C27H34IN7O3
tert-Butyl 4-(6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido(2,3-d)pyrimidin-2-ylamino)-pyridin-3-yl)-piperazine-1-carboxylate chemical structure, C27H34BrN7O3, CAS 571188-82-4
tert-Butyl 4-(6-(6-bromo-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido(2,3-d)pyrimidin-2-ylamino)-pyridin-3-yl)-piperazine-1-carboxylate
CAS 571188-82-4C27H34BrN7O3
Palbociclib impurity 10 chemical structure, C22H27BrClN7O
Palbociclib impurity 10
C22H27BrClN7O
4-{6-[8-Cyclopentyl-6-(1-ethoxy-vinyl)-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl}-piperazine-1-carboxylic acid tert-butyl ester chemical structure, C31H41N7O4, CAS 571189-10-1
4-{6-[8-Cyclopentyl-6-(1-ethoxy-vinyl)-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl}-piperazine-1-carboxylic acid tert-butyl ester
CAS 571189-10-1C31H41N7O4
8-Cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride(1:x) chemical structure, C22H28ClN7O, CAS 571189-66-7
8-Cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride(1:x)
CAS 571189-66-7C22H28ClN7O
Palbociclib hydrochloride chemical structure, C24H30ClN7O2, CAS 827022-32-2
Palbociclib hydrochloride
CAS 827022-32-2C24H30ClN7O2
Palbociclib isethionate chemical structure, C26H35N7O6S, CAS 827022-33-3
Palbociclib isethionate
CAS 827022-33-3C26H35N7O6S
8-Cyclopentyl-7-oxo-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid chemical structure, C22H25N7O3, CAS 2624129-99-1
8-Cyclopentyl-7-oxo-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS 2624129-99-1C22H25N7O3
2-((5-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyridin-2-yl)amino)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid chemical structure, C28H35N7O5, CAS 2361025-69-4
2-((5-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyridin-2-yl)amino)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS 2361025-69-4C28H35N7O5
tert-Butyl 4-(6-((6-(1-Butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido(2,3-d)pyrimidin-2-yl)amino)-pyridin-3-yl)-piperazine-1-carboxylate chemical structure, C33H45N7O4, CAS 866084-31-3
tert-Butyl 4-(6-((6-(1-Butoxyethenyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydro-pyrido(2,3-d)pyrimidin-2-yl)amino)-pyridin-3-yl)-piperazine-1-carboxylate
CAS 866084-31-3C33H45N7O4
6-(1-Butoxyvinyl)-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)aMino)pyrido[2,3-d]pyriMidin-7(8H)-one chemical structure, C28H37N7O2, CAS 2270982-31-3
6-(1-Butoxyvinyl)-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)aMino)pyrido[2,3-d]pyriMidin-7(8H)-one
CAS 2270982-31-3C28H37N7O2
Palbociclib 2HCl chemical structure, C24H31Cl2N7O2, CAS 571189-11-2
Palbociclib 2HCl
CAS 571189-11-2C24H31Cl2N7O2
8-Cyclopentyl-6-(1-hydroxyethyl)-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one chemical structure, C24H31N7O2, CAS 1376615-91-6
8-Cyclopentyl-6-(1-hydroxyethyl)-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CAS 1376615-91-6C24H31N7O2