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Molecule record

4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

C28H22F3N7O

529.53 g/mol

Loading structure

Molecular properties

Formula
C28H22F3N7O
Molar mass
529.53 g·mol−1
Exact mass
529.1838 Da
20
PubChem CID
644241

Functional groups

Alkane / alkyl carbon
Alkyl halide
Amide
Aromatic ring
Secondary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide
  • 4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide
  • 641571-10-0
  • AMN 107
  • AMN 107 Base
  • AMN107
  • C28H22F3N7O
  • CHEBI:52172
Show all 24 synonyms
  • CHEMBL255863
  • DTXCID3022663
  • DTXSID5042663
  • Danziten
  • F41401512X
  • L01XE08
  • MFCD09833716
  • NSC-747599
  • NSC747599
  • Nilotinib
  • Nilotinib (AMN-107)
  • Nilotinib [USAN:INN:BAN]
  • Nilotinib free base
  • RefChem:58968
  • Tasigna
  • nilotinibum

Structure identifiers

Canonical SMILES
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1
Isomeric SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
InChI
InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
InChIKey
HHZIURLSWUIHRB-UHFFFAOYSA-N
PubChem CID
644241

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-… - Formula, Structure | ChemArche