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#1;BMS-645737;5-ISOPROPYL-6-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-N-(2-METHYL-1H-PYRROLO-[2,3-B]-PYRIDIN-5-YL)-PYRROLO-[2,1-F]-[1,2,4]-TRIAZIN-4-AMINE;MAJOR-TAUTOMER

Compound with spectra: 4 NMR

#1;BMS-645737;5-ISOPROPYL-6-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-N-(2-METHYL-1H-PYRROLO-[2,3-B]-PYRIDIN-5-YL)-PYRROLO-[2,1-F]-[1,2,4]-TRIAZIN-4-AMINE;MAJOR-TAUTOMER
SpectraBase Compound ID 2nnluXl6dNG
InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
InChIKey OOQXPATWSOGSAV-UHFFFAOYSA-N
Mol Weight 388.44 g/mol
Molecular Formula C20H20N8O
Exact Mass 388.176007 g/mol

View Spectrum of #1;BMS-645737;5-ISOPROPYL-6-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-N-(2-METHYL-1H-PYRROLO-[2,3-B]-PYRIDIN-5-YL)-PYRROLO-[2,1-F]-[1,2,4]-TRIAZIN-4-AMINE;MAJOR-TAUTOMER

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of #1;BMS-645737;5-ISOPROPYL-6-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-N-(2-METHYL-1H-PYRROLO-[2,3-B]-PYRIDIN-5-YL)-PYRROLO-[2,1-F]-[1,2,4]-TRIAZIN-4-AMINE;MAJOR-TAUTOMER

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of #1;BMS-645737;5-ISOPROPYL-6-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-N-(2-METHYL-1H-PYRROLO-[2,3-B]-PYRIDIN-5-YL)-PYRROLO-[2,1-F]-[1,2,4]-TRIAZIN-4-AMINE;MAJOR-TAUTOMER

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

View Spectrum of #1;BMS-645737;5-ISOPROPYL-6-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-N-(2-METHYL-1H-PYRROLO-[2,3-B]-PYRIDIN-5-YL)-PYRROLO-[2,1-F]-[1,2,4]-TRIAZIN-4-AMINE;MAJOR-TAUTOMER

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
  • #1;BMS-645737;5-ISOPROPYL-6-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-N-(2-METHYL-1H-PYRROLO-[2,3-B]-PYRIDIN-5-YL)-PYRROLO-[2,1-F]-[1,2,4]-TRIAZIN-4-AMINE;MINOR-TAUTOMER
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-[4-nitro-3-(trifluoromethyl)anilino]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
5,5'-BIS[3-ETHYL-5-PHENYLHYDANTOIN]
Methyl 6-imino-4-oxo-3-phenyl-4(6)H-benzo[a]indolizine-1-carboxylate
Diacetyl-canrion
(6R,8R)-1-(benzenesulfonyl)-5-[(E)-but-1-enyl]-6,8-dimethyl-7,8-dihydro-6H-cyclopenta[g]indole
(6R,8S)-5-[(E)-1-Butenyl]-6,8-dimethyl-1-(phenylsulfonyl)-1,6,7,8-tetrahydrocyclopent[g]indoleisomer
3,9-Dimethylcarbazole-1,2-dicarboxylic acid dimethyl ester
1-Cyano-5-ethoxy-6-methylpyrido[3,4-a]phenazine
3,5-DIACETYLTAMBULIN
2-ethyl-3-methyl-1-(4-methyl-1-piperazinyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Title Journal or Book Year
Metabolism of 5-Isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (BMS-645737): Identification of an UnusualN-Acetylglucosamine Conjugate in the Cynomolgus Monkey Drug Metabolism and Disposition 2008
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