Vamotinib
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethynyl]benzamide
Molecular Identity
Vamotinib
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethynyl]benzamide
PubChem CID: 71475839
2D Structure
Properties
C29H27F3N6O
Molecular Formula
532.60
Molecular Weight
g/mol
532.2198
Exact Mass
Da
5
XLogP
Above Lipinski threshold
65.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
910
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Vamotinib1416241-23-0PF-114I8C3R768IZBenzamide, 4-methyl-N-(4-((4-methyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(1,2,4-triazolo(4,3-a)pyridin-3-yl)ethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethynyl)benzamide4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-((1,2,4)triazolo(4,3-a)pyridin-3-yl)ethynyl)benzamide4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethynyl]benzamideRefChem:172271Bcr-Abl Inhibitor PF-114Bcr-Abl Kinase Inhibitor PF-114UNII-I8C3R768IZ3-([1,2,4]Triazolo[4,3-a]pyridin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamidevamotinib [INN]GTPL9792
Data from PubChem (NCBI)
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