Basic information
- Standard SMILES
c1cc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cs1- InChIKey
YUAOWJBCURIMGN-UHFFFAOYSA-N- Molecular formula
- C22H22N4O2S
- Average molar mass
- 406.5 g/mol
Names & identifiers
- Preferred name
- 4-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine
- IUPAC
- 4-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
Names & synonyms
pyrazolo[1,5-a]pyrimidine 4aBDBM5409CHEMBL324335SCHEMBL7612865YUAOWJBCURIMGN-UHFFFAOYSA-N4-(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine3-(3-thienyl)-6-(4-(2-(4-morpholinyl)ethoxy)phenyl) pyrazolo(1,5-A)pyrimidine3-(3-thienyl)-6-(4-(2-(4-morpholinyl)ethoxy)phenyl)pyrazolo(1,5-A)pyrimidine
Database identifiers
- PubChem CID
- 5329446
- ChEMBL
CHEMBL324335- Nikkaji
- J1.829.552K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 513
Related reactions
1 records
Compound notes
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