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1-[7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]isonipecotic acid ethyl ester
SpectraBase Compound ID AAuVCcH41kZ
InChI InChI=1S/C20H19ClF2N4O3S/c1-2-30-19(29)12-5-7-26(8-6-12)18(28)14-11-17-24-13(15-4-3-9-31-15)10-16(20(21,22)23)27(17)25-14/h3-4,9-12H,2,5-8H2,1H3
InChIKey HTZCSCVLIOJGQF-UHFFFAOYSA-N
Mol Weight 468.91 g/mol
Molecular Formula C20H19ClF2N4O3S
Exact Mass 468.083446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0tPgCveC6P
Name 1-[7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]isonipecotic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClF2N4O3S
InChI InChI=1S/C20H19ClF2N4O3S/c1-2-30-19(29)12-5-7-26(8-6-12)18(28)14-11-17-24-13(15-4-3-9-31-15)10-16(20(21,22)23)27(17)25-14/h3-4,9-12H,2,5-8H2,1H3
InChIKey HTZCSCVLIOJGQF-UHFFFAOYSA-N
Molecular Weight 468.907 g/mol
SMILES CCOC(C1CCN(C(c2n[n]3C(=CC(=Nc3c2)c2sccc2)C(Cl)(F)F)=O)CC1)=O
SPLASH splash10-0a4i-8910000000-c2a0da9a58125980a4b4
Synonyms 1-[[7-[chloro(difluoro)methyl]-5-thiophen-2-yl-2-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester Ethyl 1-[7-[chloranyl-bis(fluoranyl)methyl]-5-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-2-yl]carbonylpiperidine-4-carboxylate Ethyl 1-[7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidine-4-carboxylate Ethyl 1-[7-[chloro(difluoro)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidine-4-carboxylate
Wiley ID 1453882