Ruxolitinib
Properties
- Molecular formula
- C17H18N6
- Molar mass
- 306.37 g/mol
- Exact mass
- 306.1593 Da
- logP
- 3.42Crippen estimate
- Polar surface area
- 83.2 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 4
- Stereocentres
- Rin SMILES atom order
Identifiers
CAS number
941678-49-5SMILES
N#CC[C@H](C1CCCC1)n1cc(-c2nc[nH]c3nccc2-3)cn1InChIKey
HFNKQEVNSGCOJV-OAHLLOKOSA-NInChI
InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-, (βR)-
- (βR)-β-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile
- INCB 018424
- (3R)-3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
- INC 424
- (R)-3-[4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-cyclopentylpropanenitrile
Work with Ruxolitinib
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds