N5-(3-Chloro-4-fluorophenyl)-4-(isopropylthio)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

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Systematic / IUPAC Name: N-(3-Chloro-4-fluorophenyl)-4-(isopropylsulfanyl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

ID: Reference4339

Other Names: 1H-Pyrazolo[3,4-b]pyridine-5-carboxamide, N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[(1-methylethyl)thio]-

Formula: C18H18ClFN4OS

Spectral Data

N5-(3-Chloro-4-fluorophenyl)-4-(isopropylthio)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 236
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/22/2016 3:24:48 PM
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Identificators

InChI InChI=1S/C18H18ClFN4OS/c1-9(2)26-16-12(8-21-17-15(16)10(3)23-24(17)4)18(25)22-11-5-6-14(20)13(19)7-11/h5-9H,1-4H3,(H,22,25)
InChI Key DYJZPAXIMXCISV-UHFFFAOYSA-N
Canonical SMILES CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NC3=CC(=C(C=C3)F)Cl)C
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Other Names 1H-Pyrazolo[3,4-b]pyridine-5-carboxamide, N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-[(1-methylethyl)thio]-

In Other Databases

PubChem 2819908
ChemSpider 2098138