ASTX660
1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]ethanone
Molecular Identity
ASTX660
1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]ethanone
PubChem CID: 118169620
2D Structure
Properties
C30H42FN5O3
Molecular Formula
539.70
Molecular Weight
g/mol
539.3272
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
81.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
824
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ASTX6601799328-86-1TolinapantASTX-660ASTX 6602LHZ9ZC3YOEthanone, 1-(6-((4-fluorophenyl)methyl)-2,3-dihydro-5-(hydroxymethyl)-3,3-dimethyl-1H-pyrrolo(3,2-b)pyridin-1-yl)-2-((2R,5R)-5-methyl-2-(((3R)-3-methyl-4-morpholinyl)methyl)-1-piperazinyl)-RefChem:115371XIAP/cIAP1 Antagonist ASTX6601-(6-(4-Fluorobenzyl)-5-(hydroxymethyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-((2R,5R)-5-methyl-2-(((R)-3-methylmorpholino)methyl)piperazin-1-yl)ethanone1-(6-(4-fluorobenzyl)-5-(hydroxymethyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-((2R,5R)-5-methyl-2-(((R)-3-methylmorpholino)methyl)piperazin-1-yl)ethan-1-oneASTX 660 [WHO-DD]CHEMBL41739741799328-86-1 (free base)1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]ethanone
Data from PubChem (NCBI)
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