2212021-59-3

Name 5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 3-amino-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl ester, (4S)-
CAS 2212021-59-3
Molecular Formula C20H27FN4O2
Molecular Weight 374.45
MOL File 2212021-59-3.mol
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Chemical Properties

Boiling point  506.8±50.0 °C(Predicted)
density  1.25±0.1 g/cm3(Predicted)
storage temp.  RT, protect from light
pka 4.13±0.40(Predicted)
Appearance Off-white to yellow Solid
InChI InChI=1S/C20H27FN4O2/c1-11-9-14(10-12(2)17(11)21)25-18(22)16-13(3)24(8-7-15(16)23-25)19(26)27-20(4,5)6/h9-10,13H,7-8,22H2,1-6H3/t13-/m0/s1
InChIKey JPVNBRWFGNCDLO-ZDUSSCGKSA-N
SMILES [C@@H]1(C)N(C(OC(C)(C)C)=O)CCC2=NN(C3=CC(C)=C(F)C(C)=C3)C(N)=C12

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P280-P305+P351+P338
REACH Registrations Active

Spectrum Detail

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