1-{4-[(2S)-2-{3-[6-(5-Pyrimidinyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]-1-piperidinyl}ethanone

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Systematic / IUPAC Name: 1-[4-[(2S)-2-[3-(6-Pyrimidin-5-ylpyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone

ID: Reference10041

Other Names: Ethanone, 1-[4-[(2S)-2-[3-[6-(5-pyrimidinyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]-1-piperidinyl]-;
NAT18-440319

Formula: C22H25N7O2

Spectral Data

1-{4-[(2S)-2-{3-[6-(5-Pyrimidinyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]-1-piperidinyl}ethanone 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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 575
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/6/2020 1:49:27 PM
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Identificators

InChI InChI=1S/C22H25N7O2/c1-15(30)28-9-6-18(7-10-28)29-8-2-3-20(29)22-26-21(27-31-22)16-4-5-19(25-13-16)17-11-23-14-24-12-17/h4-5,11-14,18,20H,2-3,6-10H2,1H3/t20-/m0/s1
InChI Key JKGFOGUBWOIRQA-FQEVSTJZSA-N
Canonical SMILES CC(=O)N1CCC(CC1)N2CCCC2C3=NC(=NO3)C4=CN=C(C=C4)C5=CN=CN=C5
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Other Names Ethanone, 1-[4-[(2S)-2-[3-[6-(5-pyrimidinyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]-1-piperidinyl]-;
NAT18-440319

In Other Databases

ChemSpider 29858101
PubChem 51136904