937607-28-8
[3-CYCLOPROPYL-4-(DIFLUOROMETHYL)-6-(4-FLUOROPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
Name[3-CYCLOPROPYL-4-(DIFLUOROMETHYL)-6-(4-FLUOROPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
pro_formulaC18 H14 F3 N3 O2
1Identification
【Name】
[3-CYCLOPROPYL-4-(DIFLUOROMETHYL)-6-(4-FLUOROPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
【CAS】
【MDL】
MFCD08697747
【EnglishSynonyms】
【pro_formula】
C18 H14 F3 N3 O2
【pro_molWeight】
361.322
【Inchi】
InChI=1S/C18H14F3N3O2/c19-11-5-3-9(4-6-11)13-7-12(17(20)21)15-16(10-1-2-10)23-24(8-14(25)26)18(15)22-13/h3-7,10,17H,1-2,8H2,(H,25,26)
【InChIKey】
InChIKey=ASFUAVMQDNAWQU-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2cc(c3c(nn(c3n2)CC(=O)O)C4CC4)C(F)F)F
【MOL File】
[3-CYCLOPROPYL-4-(DI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[3-CYCLOPROPYL-4-(DIFLUOROMETHYL)-6-(4-FLUOROPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID.cml