937605-92-0
[6-(3-METHOXYPHENYL)-3-METHYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
Name[6-(3-METHOXYPHENYL)-3-METHYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
pro_formulaC17 H14 F3 N3 O3
1Identification
【Name】
[6-(3-METHOXYPHENYL)-3-METHYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
【CAS】
【MDL】
MFCD08697657
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H14 F3 N3 O3
【pro_molWeight】
365.31
【Inchi】
InChI=1S/C17H14F3N3O3/c1-9-15-12(17(18,19)20)7-13(10-4-3-5-11(6-10)26-2)21-16(15)23(22-9)8-14(24)25/h3-7H,8H2,1-2H3,(H,24,25)
【InChIKey】
InChIKey=AZLGQIQDIHBSLI-UHFFFAOYSA-N
【SMILES】
Cc1c2c(cc(nc2n(n1)CC(=O)O)c3cccc(c3)OC)C(F)(F)F
【MOL File】
[6-(3-METHOXYPHENYL)….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[6-(3-METHOXYPHENYL)-3-METHYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID.cml