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1146629-80-2

1146629-80-2 Structure

1146629-80-2 Structure
IdentificationBack 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 PropertiesBack 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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