924424-39-5
METHYL 1-(2-CYANOETHYL)-3-METHYL-6-THIEN-2-YL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE
NameMETHYL 1-(2-CYANOETHYL)-3-METHYL-6-THIEN-2-YL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE
pro_formulaC16 H14 N4 O2 S
1Identification
【Name】
METHYL 1-(2-CYANOETHYL)-3-METHYL-6-THIEN-2-YL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD08868322
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H14 N4 O2 S
【pro_molWeight】
326.379
【Inchi】
InChI=1S/C16H14N4O2S/c1-10-14-11(16(21)22-2)9-12(13-5-3-8-23-13)18-15(14)20(19-10)7-4-6-17/h3,5,8-9H,4,7H2,1-2H3
【InChIKey】
InChIKey=MJEYMKJBORAUMG-UHFFFAOYSA-N
【SMILES】
Cc1c2c(cc(nc2n(n1)CCC#N)c3cccs3)C(=O)OC
【MOL File】
METHYL 1-(2-CYANOETH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
METHYL 1-(2-CYANOETHYL)-3-METHYL-6-THIEN-2-YL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE.cml