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1-Azepanyl-[7-[chloro(difluoro)methyl]-5-thiophen-2-yl-2-pyrazolo[1,5-a]pyrimidinyl]methanone
SpectraBase Compound ID 1jDaft5jG59
InChI InChI=1S/C18H17ClF2N4OS/c19-18(20,21)15-10-12(14-6-5-9-27-14)22-16-11-13(23-25(15)16)17(26)24-7-3-1-2-4-8-24/h5-6,9-11H,1-4,7-8H2
InChIKey HPDMSSXDDPDITA-UHFFFAOYSA-N
Mol Weight 410.87 g/mol
Molecular Formula C18H17ClF2N4OS
Exact Mass 410.077966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BfDbu3Cw5n
Name 1-Azepanyl-[7-[chloro(difluoro)methyl]-5-thiophen-2-yl-2-pyrazolo[1,5-a]pyrimidinyl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClF2N4OS
InChI InChI=1S/C18H17ClF2N4OS/c19-18(20,21)15-10-12(14-6-5-9-27-14)22-16-11-13(23-25(15)16)17(26)24-7-3-1-2-4-8-24/h5-6,9-11H,1-4,7-8H2
InChIKey HPDMSSXDDPDITA-UHFFFAOYSA-N
Molecular Weight 410.871 g/mol
SMILES C1CCN(C(c2n[n]3C(=CC(=Nc3c2)c2sccc2)C(Cl)(F)F)=O)CCC1
SPLASH splash10-0005-9111000000-a63b354a3398daff213e
Synonyms azepan-1-yl-[7-[chloranyl-bis(fluoranyl)methyl]-5-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-2-yl]methanone azepan-1-yl-[7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone azepan-1-yl-[7-[chloro(difluoro)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]methanone
Wiley ID 1453326