937606-18-3
[3-CYCLOPROPYL-6-(3-METHOXYPHENYL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
Name[3-CYCLOPROPYL-6-(3-METHOXYPHENYL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
pro_formulaC19 H16 F3 N3 O3
1Identification
【Name】
[3-CYCLOPROPYL-6-(3-METHOXYPHENYL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
【CAS】
【MDL】
MFCD08697675
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H16 F3 N3 O3
【pro_molWeight】
391.347
【Inchi】
InChI=1S/C19H16F3N3O3/c1-28-12-4-2-3-11(7-12)14-8-13(19(20,21)22)16-17(10-5-6-10)24-25(9-15(26)27)18(16)23-14/h2-4,7-8,10H,5-6,9H2,1H3,(H,26,27)
【InChIKey】
InChIKey=MBNFQYIDAXHPFC-UHFFFAOYSA-N
【SMILES】
COc1cccc(c1)c2cc(c3c(nn(c3n2)CC(=O)O)C4CC4)C(F)(F)F
【MOL File】
[3-CYCLOPROPYL-6-(3-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[3-CYCLOPROPYL-6-(3-METHOXYPHENYL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID.cml