2170722-84-4

Name 1-{2,4-dimethyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-y l}-2-{1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl }ethan-1-one
CAS 2170722-84-4
Molecular Formula C20H21F3N4O
MDL Number MFCD34186088
Molecular Weight 390.4
MOL File 2170722-84-4.mol
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Chemical Properties

Boiling point  546.7±50.0 °C(Predicted)
density  1.320±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO : 25 mg/mL (64.04 mM; Need ultrasonic)
form  Solid
pka 6.14±0.20(Predicted)
color  Off-white to light yellow
InChI InChI=1S/C20H21F3N4O/c1-12-5-13(2)25-17-11-27(10-16(12)17)19(28)6-14-8-26(9-14)15-3-4-24-18(7-15)20(21,22)23/h3-5,7,14H,6,8-11H2,1-2H3
InChIKey DTCZNKWBDTXEBS-UHFFFAOYSA-N
SMILES C(=O)(N1CC2=C(C)C=C(C)N=C2C1)CC1CN(C2C=CN=C(C(F)(F)F)C=2)C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H335-H319-H315
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Hazard Information

Spectrum Detail

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