Ciforadenant
7-(5-methylfuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
Molecular Identity
Ciforadenant
7-(5-methylfuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
PubChem CID: 44537963
2D Structure
Properties
C20H21N7O3
Molecular Formula
407.40
Molecular Weight
g/mol
407.1706
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
127
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
573
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(O1)C2=C3C(=NC(=N2)N)N(N=N3)CC4=NC(=CC=C4)COC5CCOC5Isomeric SMILES
SMILES: CC1=CC=C(O1)C2=C3C(=NC(=N2)N)N(N=N3)CC4=NC(=CC=C4)CO[C@H]5CCOC5Synonyms(20)
ciforadenant1202402-40-1CPI-444V81444V-814448KFO2187CP3H-1,2,3-Triazolo(4,5-d)pyrimidin-5-amine, 7-(5-methyl-2-furanyl)-3-((6-((((3S)-tetrahydro-3-furanyl)oxy)methyl)-2-pyridinyl)methyl)-7-(5-methylfuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]pyridin-2-yl]methyl]triazolo[4,5-d]pyrimidin-5-amineciforadenantum7-(5-methylfuran-2-yl)-3-((6-(((3S)-oxolan-3-yl)oxymethyl)pyridin-2-yl)methyl)triazolo(4,5-d)pyrimidin-5-amineRefChem:126117Adenosine-A2A Receptor-Targeting Agent CPI-444(S)-7-(5-methylfuran-2-yl)-3-((6-(((tetrahydrofuran-3-yl)oxy)methyl)pyridin-2-yl)methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine7-(5-Methyl-2-furanyl)-3-[[6-[[[(3S)-tetrahydro-3-furanyl]oxy]methyl]-2-pyridinyl]methyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-amineCiforadenant [INN]
Data from PubChem (NCBI)
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