VX 509
(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide
Molecular Identity
VX 509
(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID: 59422203
2D Structure
Properties
C18H19F3N6O
Molecular Formula
392.40
Molecular Weight
g/mol
392.1572
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
95.6
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
548
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)(C(=O)NCC(F)(F)F)NC1=NC(=NC=C1)C2=CNC3=C2C=CC=N3Isomeric SMILES
SMILES: CC[C@](C)(C(=O)NCC(F)(F)F)NC1=NC(=NC=C1)C2=CNC3=C2C=CC=N3Synonyms(20)
Decernotinib944842-54-0AdelatinibVX-509VRT-831509VX509MZK2GP0RHKVX 509VRT 831509DTXSID70241504(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamideButanamide, 2-methyl-2-((2-(1H-pyrrolo(2,3-b)pyridin-3-yl)-4-pyrimidinyl)amino)-N-(2,2,2-trifluoroethyl)-, (2R)-decernotinibum(2R)-2-methyl-2-((2-(1H-pyrrolo(2,3-b)pyridin-3-yl)pyrimidin-4-yl)amino)-N-(2,2,2-trifluoroethyl)butanamideRefChem:407157
Data from PubChem (NCBI)
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