1146629-80-2

Product Name: 1146629-80-2
CAS No.: 1146629-80-2
Chemical Name: 1146629-80-2
Synonyms: Ruxolitinib Impurity 78;(R)-(4-(1-(2-cyano-1-cyclopentylethyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate;Propanoic acid, 2,2-dimethyl-, [4-[1-[(1R)-2-cyano-1-cyclopentylethyl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl ester
CBNumber: CB45422791
Molecular Formula: C23H28N6O2
Formula Weight: 420.51
MOL File: 1146629-80-2.mol

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Boiling point:: 632.9±55.0 °C(Predicted)
Density: 1.28±0.1 g/cm3(Predicted)
pka: 3.47±0.30(Predicted)
InChI: InChI=1S/C23H28N6O2/c1-23(2,3)22(30)31-15-28-11-9-18-20(25-14-26-21(18)28)17-12-27-29(13-17)19(8-10-24)16-6-4-5-7-16/h9,11-14,16,19H,4-8,15H2,1-3H3/t19-/m1/s1
InChIKey: VONAHXIMKYWQCQ-LJQANCHMSA-N
SMILES: C(OCN1C2C(C=C1)=C(C1=CN([C@@H](C3CCCC3)CC#N)N=C1)N=CN=2)(=O)C(C)(C)C

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(R)-(4-(1-(2-cyano-1-cyclopentylethyl)-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate

Propanoic acid, 2,2-dimethyl-, [4-[1-[(1R)-2-cyano-1-cyclopentylethyl]-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl ester

Ruxolitinib Impurity 78

1146629-80-2