937606-06-9
[3-CYCLOPROPYL-6-PHENYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
Name[3-CYCLOPROPYL-6-PHENYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
pro_formulaC18 H14 F3 N3 O2
1Identification
【Name】
[3-CYCLOPROPYL-6-PHENYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
【CAS】
【MDL】
MFCD08697665
【EnglishSynonyms】
【pro_formula】
C18 H14 F3 N3 O2
【pro_molWeight】
361.322
【Inchi】
InChI=1S/C18H14F3N3O2/c19-18(20,21)12-8-13(10-4-2-1-3-5-10)22-17-15(12)16(11-6-7-11)23-24(17)9-14(25)26/h1-5,8,11H,6-7,9H2,(H,25,26)
【InChIKey】
InChIKey=SNHAJCQBHJMEDU-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2cc(c3c(nn(c3n2)CC(=O)O)C4CC4)C(F)(F)F
【MOL File】
[3-CYCLOPROPYL-6-PHE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[3-CYCLOPROPYL-6-PHENYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID.cml