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6-Amino-4-(4-fluorophenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-B]pyridine-5-carbonitrile
SpectraBase Compound ID Bwz7EFind1S
InChI InChI=1S/C20H14FN5/c1-12-17-18(13-7-9-14(21)10-8-13)16(11-22)19(23)24-20(17)26(25-12)15-5-3-2-4-6-15/h2-10H,1H3,(H2,23,24)
InChIKey CDOWYMNKXWPDQS-UHFFFAOYSA-N
Mol Weight 343.37 g/mol
Molecular Formula C20H14FN5
Exact Mass 343.123324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QS6gErVIRa
Name 6-Amino-4-(4-fluorophenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-B]pyridine-5-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.123323634 u
Formula C20H14FN5
InChI InChI=1S/C20H14FN5/c1-12-17-18(13-7-9-14(21)10-8-13)16(11-22)19(23)24-20(17)26(25-12)15-5-3-2-4-6-15/h2-10H,1H3,(H2,23,24)
InChIKey CDOWYMNKXWPDQS-UHFFFAOYSA-N
Molecular Weight 343.365 g/mol
SMILES C1(N)=NC=2N(C3=CC=CC=C3)N=C(C)C2C(C=2C=CC(F)=CC2)=C1C#N