N1-[4-(4-amino-7-tetrahydro-2H-4-pyranyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]benzamide

HCID 69920162
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Basic information

Standard SMILES
COc1cc(-c2cn(C3CCOCC3)c3ncnc(N)c23)ccc1NC(=O)c1ccccc1
InChIKey
ZKJSKUBEPVMSPP-UHFFFAOYSA-N
Molecular formula
C25H25N5O3
Average molar mass
443.5 g/mol

Names & identifiers

Preferred name
N1-[4-(4-amino-7-tetrahydro-2H-4-pyranyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]benzamide
IUPAC
N-[4-[4-amino-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxyphenyl]benzamide

Names & synonyms

SCHEMBL6861029ZKJSKUBEPVMSPP-UHFFFAOYSA-NN1-[4-(4-amino-7-tetrahydro-2H-4-pyranyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]benzamide

Database identifiers

PubChem CID
69920162

Properties

Computed structural properties

XLogP
3
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
33

Related reactions

5 records
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Compound notes

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