AC1NEMFS structure

AC1NEMFS

(2,3,4,5,6-pentafluorophenyl) 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate

Also Known As: KS-00003F5D|8T-0033|2,3,4,5,6-pentafluorophenyl 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylate|(2,3,4,5,6-pentafluorophenyl) 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate|2,3,4,5,6-pentafluorophenyl 1-methyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate|2,3,4,5,6-PENTAFLUOROPHENYL 1-METHYL-4-([3-(TRIFLUOROMETHYL)BENZYL]AMINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE|2,3,4,5,6-pentafluorophenyl1-methyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

CAS: 866136-99-4
Molecular Formula C22H12F8N4O2
Molecular Weight 516.08325 g/mol
LogP 5.5139
Topological Polar Surface Area 69.04 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 516.08325
Monoisotopic Mass 516.08325
Heavy Atoms 36
Complexity 1470.9128

Chemical Identifiers

CAS Number 866136-99-4
SMILES CN1C2=NC=C(C(=C2C=N1)NCC3=CC(=CC=C3)C(F)(F)F)C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F

Product Overview

AC1NEMFS (CAS 866136-99-4), with molecular formula C22H12F8N4O2 and molecular weight 516.08325 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate.

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