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Murcko scaffold

1-(Pyridin-2-yl)-1,4-diazepane scaffold

148 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
13
Chemicals
148
With full pages
19
Scaffold SMILES

c1ccc(N2CCCNCC2)nc1

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 scaffoldOpen the 1-(Pyridin-2-yl)-1,4-diazepane page
Murcko scaffold c1ccc(N2CCCNCC2)nc1

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 148 chemicals

1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane chemical structure, C11H13ClF3N3, CAS 231953-40-5
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane
CAS 231953-40-5C11H13ClF3N3
1-(5-Nitropyridin-2-yl)-1,4-diazepane chemical structure, C10H14N4O2, CAS 287114-27-6
1-(5-Nitropyridin-2-yl)-1,4-diazepane
CAS 287114-27-6C10H14N4O2
6-(1,4-Diazepan-1-yl)nicotinonitrile chemical structure, C11H14N4, CAS 683274-59-1
6-(1,4-Diazepan-1-yl)nicotinonitrile
CAS 683274-59-1C11H14N4
4-(5-Cyanopyridin-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide chemical structure, C13H17N5S, CAS 519056-55-4
4-(5-Cyanopyridin-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide
CAS 519056-55-4C13H17N5S
tert-Butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate chemical structure, C16H22N4O2, CAS 683274-60-4
tert-Butyl 4-(5-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate
CAS 683274-60-4C16H22N4O2
Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate chemical structure, C15H20N4O2, CAS 683274-44-4
Ethyl 5-cyano-2-(1,4-diazepan-1-yl)-6-methylnicotinate
CAS 683274-44-4C15H20N4O2
1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane chemical structure, C11H14F3N3, CAS 306934-70-3
1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane
CAS 306934-70-3C11H14F3N3
6-(4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl)nicotinic acid chemical structure, C16H23N3O4, CAS 502133-50-8
6-(4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl)nicotinic acid
CAS 502133-50-8C16H23N3O4
2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid chemical structure, C16H23N3O4, CAS 502133-49-5
2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid
CAS 502133-49-5C16H23N3O4
1-(Pyridin-2-yl)-1,4-diazepane chemical structure, C10H15N3, CAS 287114-32-3
1-(Pyridin-2-yl)-1,4-diazepane
CAS 287114-32-3C10H15N3
3-Chloro-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one chemical structure, C13H17ClN4O3, CAS 646455-54-1
3-Chloro-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one
CAS 646455-54-1C13H17ClN4O3
3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one chemical structure, C13H17BrN4O3, CAS 646455-86-9
3-Bromo-1-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]propan-1-one
CAS 646455-86-9C13H17BrN4O3
1-[3-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane chemical structure, C11H14F3N3, CAS 243666-15-1
1-[3-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane
CAS 243666-15-1C11H14F3N3
2-{4-[5-(Trifluoromethyl)pyridin-2-yl]homopiperazin-1-yl}ethan-1-ol chemical structure, C13H18F3N3O, CAS 646455-70-1
2-{4-[5-(Trifluoromethyl)pyridin-2-yl]homopiperazin-1-yl}ethan-1-ol
CAS 646455-70-1C13H18F3N3O
3-Bromo-1-(4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl)propan-1-one chemical structure, C14H17BrF3N3O, CAS 646455-90-5
3-Bromo-1-(4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl)propan-1-one
CAS 646455-90-5C14H17BrF3N3O
2-(1,4-Diazepan-1-yl)pyridine-3-carbonitrile chemical structure, C11H14N4, CAS 352018-97-4
2-(1,4-Diazepan-1-yl)pyridine-3-carbonitrile
CAS 352018-97-4C11H14N4
1-(3-Nitropyridin-2-yl)-1,4-diazepane chemical structure, C10H14N4O2, CAS 147539-29-5
1-(3-Nitropyridin-2-yl)-1,4-diazepane
CAS 147539-29-5C10H14N4O2
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-methanesulfonyl-1,4-diazepane chemical structure, C12H15ClF3N3O2S, CAS 1022094-80-9
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-methanesulfonyl-1,4-diazepane
CAS 1022094-80-9C12H15ClF3N3O2S
1-(5-Chloropyridin-2-yl)-1,4-diazepane chemical structure, C10H14ClN3, CAS 502133-62-2
1-(5-Chloropyridin-2-yl)-1,4-diazepane
CAS 502133-62-2C10H14ClN3
1-(3,5-Dichloropyridin-2-yl)-1,4-diazepane chemical structure, C10H13Cl2N3, CAS 502133-60-0
1-(3,5-Dichloropyridin-2-yl)-1,4-diazepane
CAS 502133-60-0C10H13Cl2N3
Methyl 6-(1,4-diazepan-1-yl)nicotinate chemical structure, C12H17N3O2, CAS 132521-77-8
Methyl 6-(1,4-diazepan-1-yl)nicotinate
CAS 132521-77-8C12H17N3O2
tert-Butyl 4-(3-cyano-4,6-dimethylpyridin-2-yl)-1,4-diazepane-1-carboxylate chemical structure, C18H26N4O2, CAS 946385-36-0
tert-Butyl 4-(3-cyano-4,6-dimethylpyridin-2-yl)-1,4-diazepane-1-carboxylate
CAS 946385-36-0C18H26N4O2
1-(3-Methylpyridin-2-yl)-1,4-diazepane chemical structure, C11H17N3, CAS 880362-05-0
1-(3-Methylpyridin-2-yl)-1,4-diazepane
CAS 880362-05-0C11H17N3
tert-Butyl 4-(3-methylpyridin-2-yl)-1,4-diazepane-1-carboxylate chemical structure, C16H25N3O2, CAS 946386-09-0
tert-Butyl 4-(3-methylpyridin-2-yl)-1,4-diazepane-1-carboxylate
CAS 946386-09-0C16H25N3O2