Murcko scaffold
Ring system with 3 rings and 16 atoms
50 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 16
- Chemicals
- 50
- With full pages
- 9
Scaffold SMILES
O=c1[nH]c(-c2ccccc2)nc2cn[nH]c12
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.
![Murcko scaffold O=c1[nH]c(-c2ccccc2)nc2cn[nH]c12](/scaffold/JOMNBJVRXSVEDC-UHFFFAOYSA-N/structure.svg)
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 50 chemicals
![5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone chemical structure, C17H20N4O2, CAS 139756-21-1](/s/MXQUEDUMKWBYHI-UHFFFAOYSA-N.svg)
5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CAS 139756-21-1C17H20N4O2
![5-(2-Ethoxyphenyl)-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one chemical structure, C15H16N4O2, CAS 139756-28-8](/s/SRVVOQVTSUQJCP-UHFFFAOYSA-N.svg)
5-(2-Ethoxyphenyl)-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CAS 139756-28-8C15H16N4O2
![4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide chemical structure, C17H21N5O4S, CAS 372089-76-4](/s/RXDHCHRRVRQYRM-UHFFFAOYSA-N.svg)
4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide
CAS 372089-76-4C17H21N5O4S
![4-Ethoxy-N-(2-hydroxyethyl)-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide chemical structure, C19H25N5O5S, CAS 372172-91-3](/s/YVPFDZKAMRTUER-UHFFFAOYSA-N.svg)
4-Ethoxy-N-(2-hydroxyethyl)-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide
CAS 372172-91-3C19H25N5O5S
![4-Ethoxy-N,N-bis(2-hydroxyethyl)-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide chemical structure, C21H29N5O6S, CAS 226956-43-0](/s/ASLYFRXJVSDKKL-UHFFFAOYSA-N.svg)
4-Ethoxy-N,N-bis(2-hydroxyethyl)-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide
CAS 226956-43-0C21H29N5O6S
![5-(3,4-Dimethoxyphenyl)-1-methyl-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-7-one chemical structure, C17H20N4O3, CAS 851133-92-1](/s/QLCHDTIEJNCYCG-UHFFFAOYSA-N.svg)
5-(3,4-Dimethoxyphenyl)-1-methyl-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-7-one
CAS 851133-92-1C17H20N4O3
![5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one chemical structure, C17H19ClN4O4S, CAS 139756-22-2](/s/RVVOSOSBFSYZDM-UHFFFAOYSA-N.svg)
5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CAS 139756-22-2C17H19ClN4O4S
N-Desalkyludenafil
CAS 319491-68-4C18H23N5O4S
Sildenafil impurity 209
CAS 459834-16-3C18H22N4O4S
Diethylaminosildenafil
CAS 372152-24-4C21H29N5O4S
UK-150564
CAS 466684-88-8C20H28N6O4S
![1,6-Dihydro-5-(2-hydroxyphenyl)-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one chemical structure, C15H16N4O2, CAS 139756-26-6](/s/LWPFLYVDEFNFBW-UHFFFAOYSA-N.svg)
1,6-Dihydro-5-(2-hydroxyphenyl)-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one
CAS 139756-26-6C15H16N4O2
Gendenafil
CAS 147676-66-2C19H22N4O3
Chlorodenafil
CAS 1058653-74-9C19H21ClN4O3
5-Chloro imidazosagatriazinone
CAS 1829588-57-9C17H19ClN4O2
Acetil acid
CAS 147676-78-6C18H20N4O4
Dinitrodenafil
CAS 1797103-21-9C17H18N6O6
3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxybenzaldehyde
CAS 1624797-13-2C18H20N4O3
Dichlorodenafil, (E)-
CAS 1469486-82-5C19H20Cl2N4O2
Des(methylpiperazinyl) sildenafil acid
CAS 1357931-55-5C17H20N4O5S
Dichlorodenafil
CAS 1446089-84-4C19H20Cl2N4O2
Descarbonsildenafil
CAS 1393816-99-3C21H30N6O4S
Nitrodenafil
CAS 147676-99-1C17H19N5O4
Demethylpiperazinyl iso sildenafil sulfonyl chloride
CAS 501120-42-9C17H19ClN4O4S
- Demethylpiperazinyl desethyl sildenafil sulfonyl chloride139756-27-7C15H15ClN4O4S
- 1-Methyl-5-(2-propoxyphenyl)-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one139756-23-3C18H22N4O2
- 1,4-Dihydro-5-[5-bromoacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one147676-94-6C19H21BrN4O3
- 5-(5-Bromo-2-ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-D]pyrimidin-7(6H)-one147676-70-8C17H19BrN4O2
- 1 suppliers5-(5-Chlorosulfonyl-2-ethoxyphenyl)-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one139756-31-3C16H17ClN4O4S
- 5-(5-Amino-2-ethoxyphenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one147677-00-7C17H21N5O2
- 5-(2-Ethoxyphenyl)-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one139756-30-2C16H18N4O2
- RefChem:345747501120-40-7C17H20N4O2
- 3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonyl Chloride139756-24-4C18H21ClN4O4S
- 5-(2-Hydroxyphenyl)-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-D]pyrimidin-7-one1159977-45-3C14H14N4O2
- N-[3-(1-Methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxyphenyl]thiourea1171116-47-4C19H24N6O2S
- 1-Methyl-5-(5-nitro-2-propoxyphenyl)-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one361340-57-0C18H21N5O4
- N-[4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]thiourea1171116-46-3C18H22N6O2S
- 5-(5-Bromo-2-propoxyphenyl)-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one147676-67-3C18H21BrN4O2
- 5-(2-Ethoxy-5-iodophenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one1491216-01-3C17H19IN4O2
- 1 suppliersHydroxy chlorodenafil1391054-00-4C19H23ClN4O3
- 4-Methoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonyl chloride866256-11-3C16H17ClN4O4S
- Methyl 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonate2512206-40-3C18H22N4O5S
- 1 suppliers3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-ethyl ester Benzenesulfonic acid1971915-89-5C19H24N4O5S
- Sildenafil impurity 1572640792-65-8C20H26N4O5S
- 3-[6,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-ethoxybenzenesulfonyl Chloride1467610-68-9C18H21ClN4O4S
- 5-(4-Fluorophenyl)-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one3032452-65-3C14H13FN4O
- 3-tert-Butyl-5-(4-fluorophenyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one3032452-90-4C15H15FN4O
- 1 suppliersN-[2-(Dimethylamino)ethyl]-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzamide2711006-62-9C23H32N6O3
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