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Pyrano[2,3-c]pyrazole-3-acetic acid, 6-amino-5-cyano-4-[5-(4-fluorophenyl)-3-pyridinyl]-2,4-dihydro-, methyl ester
SpectraBase Compound ID 3OBqObtOKRc
InChI InChI=1S/C21H16FN5O3/c1-29-17(28)7-16-19-18(15(8-23)20(24)30-21(19)27-26-16)13-6-12(9-25-10-13)11-2-4-14(22)5-3-11/h2-6,9-10,18H,7,24H2,1H3,(H,26,27)
InChIKey NGYBSLOBOJNTJM-UHFFFAOYSA-N
Mol Weight 405.39 g/mol
Molecular Formula C21H16FN5O3
Exact Mass 405.123718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKO5E3x8TdD
Name Pyrano[2,3-c]pyrazole-3-acetic acid, 6-amino-5-cyano-4-[5-(4-fluorophenyl)-3-pyridinyl]-2,4-dihydro-, methyl ester
Alternate Name(s) 2-[6-amino-5-cyano-4-[5-(4-fluorophenyl)-3-pyridinyl]-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester Methyl 2-[6-amino-5-cyano-4-[5-(4-fluorophenyl)pyridin-3-yl]-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate Methyl 2-[6-amino-5-cyano-4-[5-(4-fluorophenyl)-3-pyridyl]-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate Methyl 2-[6-azanyl-5-cyano-4-[5-(4-fluorophenyl)pyridin-3-yl]-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]ethanoate
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Formula C21H16FN5O3
InChI InChI=1S/C21H16FN5O3/c1-29-17(28)7-16-19-18(15(8-23)20(24)30-21(19)27-26-16)13-6-12(9-25-10-13)11-2-4-14(22)5-3-11/h2-6,9-10,18H,7,24H2,1H3,(H,26,27)
InChIKey NGYBSLOBOJNTJM-UHFFFAOYSA-N
Molecular Weight 405.389 g/mol
SMILES [nH]1nc2c(C(C(=C(O2)N)C#N)c2cc(cnc2)-c2ccc(cc2)F)c1CC(OC)=O
SPLASH splash10-014r-9220000000-0933f022a1f7781581b4
Source of Spectrum IY-1-4630-3
Wiley ID 1654286