937606-22-9
[3-CYCLOPROPYL-6-(5-ETHYLTHIEN-2-YL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
Name[3-CYCLOPROPYL-6-(5-ETHYLTHIEN-2-YL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
pro_formulaC18 H16 F3 N3 O2 S
1Identification
【Name】
[3-CYCLOPROPYL-6-(5-ETHYLTHIEN-2-YL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID
【CAS】
【MDL】
MFCD08697678
【EnglishSynonyms】
【pro_formula】
C18 H16 F3 N3 O2 S
【pro_molWeight】
395.403
【Inchi】
InChI=1S/C18H16F3N3O2S/c1-2-10-5-6-13(27-10)12-7-11(18(19,20)21)15-16(9-3-4-9)23-24(8-14(25)26)17(15)22-12/h5-7,9H,2-4,8H2,1H3,(H,25,26)
【InChIKey】
InChIKey=OBCYPYNGIWRUEL-UHFFFAOYSA-N
【SMILES】
CCc1ccc(s1)c2cc(c3c(nn(c3n2)CC(=O)O)C4CC4)C(F)(F)F
【MOL File】
[3-CYCLOPROPYL-6-(5-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[3-CYCLOPROPYL-6-(5-ETHYLTHIEN-2-YL)-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL]ACETIC ACID.cml