Murcko scaffold
Ring system with 4 rings and 20 atoms
48 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 20
- Chemicals
- 48
- With full pages
- 6
Scaffold SMILES
c1nc(-c2cnn(CC3CCCC3)c2)c2cc[nH]c2n1
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 c1nc(-c2cnn(CC3CCCC3)c2)c2cc[nH]c2n1](/scaffold/OPXQEIVJRMMRDZ-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 48 chemicals
![3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile chemical structure, C17H18N6, CAS 941688-05-7](/s/HFNKQEVNSGCOJV-UHFFFAOYSA-N.svg)
3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile
CAS 941688-05-7C17H18N6
Ruxolitinib impurity N7 (mixture of diastereomers)
CAS 1092973-95-9C17H18N6O
![b-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(bR)-1H-pyrazole-1-propanenitrile,(2Z)-2-butenedioate) chemical structure, C21H22N6O4, CAS 1092939-15-5](/s/WOJBKXOVBVZSET-HFNHQGOYSA-N.svg)
b-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(bR)-1H-pyrazole-1-propanenitrile,(2Z)-2-butenedioate)
CAS 1092939-15-5C21H22N6O4
Ruxolitinib
CAS 941678-49-5C17H18N6
Ruxolitinib (sulfate)
CAS 1092939-16-6C17H20N6O4S
Jakafi
CAS 1092939-17-7C17H21N6O4P
rac-Ruxolitinib Phosphate
CAS 1911644-31-9C17H21N6O4P
![(3R)-3-Cyclopentyl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile chemical structure, C23H32N6OSi, CAS 941685-40-1](/s/QHQSWYIJDFMBNE-OAQYLSRUSA-N.svg)
(3R)-3-Cyclopentyl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CAS 941685-40-1C23H32N6OSi
Incb 18424
CAS 941685-37-6C17H18N6
![3 Cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2.3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile chemical structure, C23H32N6OSi, CAS 941685-39-8](/s/QHQSWYIJDFMBNE-UHFFFAOYSA-N.svg)
3 Cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2.3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile
CAS 941685-39-8C23H32N6OSi
![4-(1-(1-Cyclopentylbut-3-yn-1-yl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine chemical structure, C18H19N5, CAS 941684-77-1](/s/KNSMJCLAGHJHGW-UHFFFAOYSA-N.svg)
4-(1-(1-Cyclopentylbut-3-yn-1-yl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CAS 941684-77-1C18H19N5
![(R)-(4-(1-(2-Cyano-1-cyclopentylethyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate chemical structure, C23H28N6O2, CAS 1146629-80-2](/s/VONAHXIMKYWQCQ-LJQANCHMSA-N.svg)
(R)-(4-(1-(2-Cyano-1-cyclopentylethyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
CAS 1146629-80-2C23H28N6O2
![(R)-(4-(1-(3-Amino-1-cyclopentyl-3-oxopropyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate chemical structure, C23H30N6O3, CAS 1236032-96-4](/s/QFRRZIPSWUAYQO-GOSISDBHSA-N.svg)
(R)-(4-(1-(3-Amino-1-cyclopentyl-3-oxopropyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
CAS 1236032-96-4C23H30N6O3
![(4-(1-(2-Cyano-1-cyclopentylethyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate chemical structure, C23H28N6O2, CAS 1236033-05-8](/s/VONAHXIMKYWQCQ-UHFFFAOYSA-N.svg)
(4-(1-(2-Cyano-1-cyclopentylethyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
CAS 1236033-05-8C23H28N6O2
![(S)-3-Cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile chemical structure, C23H32N6OSi, CAS 941685-41-2](/s/QHQSWYIJDFMBNE-NRFANRHFSA-N.svg)
(S)-3-Cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile
CAS 941685-41-2C23H32N6OSi
Ruxolitinib N-methanol
CAS 1236033-03-6C18H20N6O
![(1R)-(4-(1-(1-Cyclopentyl-3-oxopropyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate chemical structure, C23H29N5O3, CAS 1146629-79-9](/s/HXTAHYSEHAJCEN-LJQANCHMSA-N.svg)
(1R)-(4-(1-(1-Cyclopentyl-3-oxopropyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
CAS 1146629-79-9C23H29N5O3
(S)-Ruxolitinib phosphate
CAS 2703484-89-1C17H21N6O4P
Orb1688050
C17H20N6O4S
![b-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(bR)-1H-pyrazole-1-propanenitrile,trifluoroacetate chemical structure, C19H19F3N6O2, CAS 941678-50-8](/s/YCYDUYFWWXXNRP-XFULWGLBSA-N.svg)
b-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(bR)-1H-pyrazole-1-propanenitrile,trifluoroacetate
CAS 941678-50-8C19H19F3N6O2
![(s)-(4-(1-(2-Cyano-1-cyclopentylethyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate chemical structure, C23H28N6O2, CAS 1236033-23-0](/s/VONAHXIMKYWQCQ-IBGZPJMESA-N.svg)
(s)-(4-(1-(2-Cyano-1-cyclopentylethyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
CAS 1236033-23-0C23H28N6O2
(rac)-Ruxolitinib-d8
CAS 1794791-38-0C17H18N6
Deuruxolitinib
CAS 1513883-39-0C17H18N6
Ruxolitinib-d9
CAS 1513883-55-0C17H18N6
- (3R)-3-(3-Hydroxycyclopentyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)pyrazol-1-yl)propanenitrile1092973-94-8C17H18N6O
- Incb-275981315607-85-2C17H18N6O
- (BetaR)-beta-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile (2Z)-2-butenedioateC21H22N6O4
- Ruxolitinib sulfateC17H20N6O4S
- (rac)-Ruxolitinib-d92469553-67-9C17H18N6
- Rovadicitinib1948242-59-8C17H19N7
- (3S)-3-Cyclopentyl-3-{4-[7-(hydroxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazol-1-yl}propanenitrile2743427-60-1C18H20N6O
- 1 suppliers1H-Pyrazole-1-propanoic acid, I2-cyclopentyl-4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-, (I2R)-2102675-40-9C17H19N5O2
- Ruxolitinib-amide, (R)-2102675-42-1C17H20N6O
- Ruxolitinib-amide1911644-32-0C17H20N6O
- Rovadicitinib hydrochloride1948242-60-1C17H20ClN7
- (2S,3S)-2,3-Bis(benzoyloxy)butanedioic acid, (3R)-3-cyclopentyl-3-[4-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile1236033-04-7C41H46N6O9Si
- 3-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanoic acid3016399-21-3C17H19N5O2
- (BetaR)-beta-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanoic acid sodium2947651-01-4C17H18N5NaO2
- 1 suppliersDeuruxolitinib phosphate2147706-60-1C17H21N6O4P
- (R)-3-(4-(2-Chloro-7H-pyrrolo[2,3-D]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile2803825-42-3C17H17ClN6
- 3 suppliersRuxolitinib hemifumarate2803478-47-7C38H40N12O4
- Methyl (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanoate2950130-23-9C18H21N5O2
- Ruxolitinib impurity 26 (+)-dibenzoyltartaric acid salt2920037-87-0C41H46N6O9Si
- 2 suppliersRuxolitinib hydrochloride1912373-07-9C17H19ClN6
- 1 suppliersRuxolitinib mesilate2927441-77-6C18H22N6O3S
- Ruxolitinib impurity 1371895921-65-9C22H26N6O2
- Ruxolitinib impurity 1721236033-02-5C22H32N6O2Si
- Ruxolitinib oxalate1883417-29-5C19H20N6O4