937607-32-4
[3-CYCLOPROPYL-4-(DIFLUOROMETHYL)-6-(4-METHOXYPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
Name[3-CYCLOPROPYL-4-(DIFLUOROMETHYL)-6-(4-METHOXYPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
pro_formulaC19 H17 F2 N3 O3
1Identification
【Name】
[3-CYCLOPROPYL-4-(DIFLUOROMETHYL)-6-(4-METHOXYPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
【CAS】
【MDL】
MFCD08697754
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H17 F2 N3 O3
【pro_molWeight】
373.357
【Inchi】
InChI=1S/C19H17F2N3O3/c1-27-12-6-4-10(5-7-12)14-8-13(18(20)21)16-17(11-2-3-11)23-24(9-15(25)26)19(16)22-14/h4-8,11,18H,2-3,9H2,1H3,(H,25,26)
【InChIKey】
InChIKey=FUUJNGVUNBCQHX-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)c2cc(c3c(nn(c3n2)CC(=O)O)C4CC4)C(F)F
【MOL File】
[3-CYCLOPROPYL-4-(DI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[3-CYCLOPROPYL-4-(DIFLUOROMETHYL)-6-(4-METHOXYPHENYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID.cml