938022-02-7
METHYL 3,6-DICYCLOPROPYL-1-PHENYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE
NameMETHYL 3,6-DICYCLOPROPYL-1-PHENYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE
1Identification
【Name】
METHYL 3,6-DICYCLOPROPYL-1-PHENYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD08558108
【English Synonyms】
【Formula】
C20 H19 N3 O2
【MolWeight】
333.389
【Inchi】
InChI=1S/C20H19N3O2/c1-25-20(24)15-11-16(12-7-8-12)21-19-17(15)18(13-9-10-13)22-23(19)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3
【InChIKey】
InChIKey=YAWTXGFDFFNJBZ-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cc(nc2c1c(nn2c3ccccc3)C4CC4)C5CC5
【MOL File】
METHYL 3,6-DICYCLOPR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 3,6-DICYCLOPROPYL-1-PHENYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLATE.cml