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2-{[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]methyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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2-{[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]methyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID KBRVTvdbvk2
InChI InChI=1S/C20H17F2N7S/c1-9-5-10(2)24-20-15(9)16-17(30-20)19-25-14(27-29(19)8-23-16)7-28-13(11-3-4-11)6-12(26-28)18(21)22/h5-6,8,11,18H,3-4,7H2,1-2H3
InChIKey ZJHZUGDGVWGBOP-UHFFFAOYSA-N
Mol Weight 425.46 g/mol
Molecular Formula C20H17F2N7S
Exact Mass 425.123421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A6LplFyAgEo
Name 2-{[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]methyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H17F2N7S/c1-9-5-10(2)24-20-15(9)16-17(30-20)19-25-14(27-29(19)8-23-16)7-28-13(11-3-4-11)6-12(26-28)18(21)22/h5-6,8,11,18H,3-4,7H2,1-2H3
InChIKey ZJHZUGDGVWGBOP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32356
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1847577; SBI_ID: SBI-032360
Temperature 318 °C