937606-04-7
[3-CYCLOPROPYL-6-(2-FURYL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
Name[3-CYCLOPROPYL-6-(2-FURYL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
pro_formulaC16 H12 F3 N3 O3
1Identification
【Name】
[3-CYCLOPROPYL-6-(2-FURYL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
【CAS】
【MDL】
MFCD08697664
【EnglishSynonyms】
【pro_formula】
C16 H12 F3 N3 O3
【pro_molWeight】
351.283
【Inchi】
InChI=1S/C16H12F3N3O3/c17-16(18,19)9-6-10(11-2-1-5-25-11)20-15-13(9)14(8-3-4-8)21-22(15)7-12(23)24/h1-2,5-6,8H,3-4,7H2,(H,23,24)
【InChIKey】
InChIKey=RVLZIWXLCPBRQH-UHFFFAOYSA-N
【SMILES】
c1cc(oc1)c2cc(c3c(nn(c3n2)CC(=O)O)C4CC4)C(F)(F)F
【MOL File】
[3-CYCLOPROPYL-6-(2-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[3-CYCLOPROPYL-6-(2-FURYL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID.cml