N-(4-fluorophenyl)-N'-(4-{[1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}phenyl)cyclopropane-1,1-dicarboxamide

HCID 11699227

Basic information

Standard SMILES
O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnc4c3cnn4C3CCCCO3)cc2)CC1
InChIKey
KPYPZGHLRKVTHJ-UHFFFAOYSA-N
Molecular formula
C27H25FN6O4
Average molar mass
516.5 g/mol

Names & identifiers

Preferred name
N-(4-fluorophenyl)-N'-(4-{[1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}phenyl)cyclopropane-1,1-dicarboxamide
IUPAC
1-N'-(4-fluorophenyl)-1-N-[4-[1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

Names & synonyms

SCHEMBL2198668KPYPZGHLRKVTHJ-UHFFFAOYSA-NN-(4-fluorophenyl)-N'-(4-{[1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}phenyl)cyclopropane-1,1-dicarboxamide

Database identifiers

PubChem CID
11699227

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
120 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
38

Related reactions

4 records

Compound notes

Loading…