| Identification | Back Directory | [Name]
1146629-80-2 | [CAS]
1146629-80-2 | [Synonyms]
(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 | [Molecular Formula]
C23H28N6O2 | [MOL File]
1146629-80-2.mol | [Molecular Weight]
420.51 |
| Chemical Properties | Back Directory | [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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