1-Methyl-1H-imidazole-4-sulfonic Acid [4-(4-amino-pyrazolo[3,4-d]pyrimidin-1-yl)-phenyl]-amide

HCID 11996551
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Basic information

Standard SMILES
Cn1cnc(S(=O)(=O)Nc2ccc(-n3ncc4c(N)ncnc43)cc2)c1
InChIKey
JYRPKRQKCDSMOS-UHFFFAOYSA-N
Molecular formula
C15H14N8O2S
Average molar mass
370.4 g/mol
Monoisotopic mass
370.09604289

Names & identifiers

Preferred name
1-Methyl-1H-imidazole-4-sulfonic Acid [4-(4-amino-pyrazolo[3,4-d]pyrimidin-1-yl)-phenyl]-amide
IUPAC
N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-4-sulfonamide

Names & synonyms

SCHEMBL13790352JYRPKRQKCDSMOS-UHFFFAOYSA-N1-Methyl-1H-imidazole-4-sulfonic Acid [4-(4-amino-pyrazolo[3,4-d]pyrimidin-1-yl)-phenyl]-amide

Database identifiers

PubChem CID
11996551

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
142 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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