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1-(4-(4-Amino-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(3-trifluoromethyl-phenyl)urea
SpectraBase Compound ID 2yEBTp2pNVY
InChI InChI=1S/C21H16F3N5O/c22-21(23,24)13-2-1-3-15(12-13)28-20(30)27-14-4-6-16(7-5-14)29-11-9-17-18(29)8-10-26-19(17)25/h1-12H,(H2,25,26)(H2,27,28,30)
InChIKey LCZAJDBJQTWMGQ-UHFFFAOYSA-N
Mol Weight 411.39 g/mol
Molecular Formula C21H16F3N5O
Exact Mass 411.130695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cRVDDjh5x4
Name 1-(4-(4-Amino-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(3-trifluoromethyl-phenyl)urea
Comments Less than 3 mono-isotopic peaks
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Formula C21H16F3N5O
InChI InChI=1S/C21H16F3N5O/c22-21(23,24)13-2-1-3-15(12-13)28-20(30)27-14-4-6-16(7-5-14)29-11-9-17-18(29)8-10-26-19(17)25/h1-12H,(H2,25,26)(H2,27,28,30)
InChIKey LCZAJDBJQTWMGQ-UHFFFAOYSA-N
Molecular Weight 411.388 g/mol
SMILES Nc1c2c([n](-c3ccc(NC(Nc4cc(C(F)(F)F)ccc4)=O)cc3)cc2)ccn1
SPLASH splash10-03di-0000900000-d5b6a26bd7932c9b9605
Source of Spectrum F2-46-3224-8h
Synonyms 1-[4-(4-amino-1-pyrrolo[3,2-c]pyridinyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea 1-[4-(4-azanylpyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Wiley ID 1689985