Basic information
- Standard SMILES
Nc1ccc(C#Cc2cnn3c(CO)cc(-c4ccc(Cl)cc4)nc23)cn1- InChIKey
BEZZZHLYGAZXLM-UHFFFAOYSA-N- Molecular formula
- C20H14ClN5O
- Average molar mass
- 375.8 g/mol
Names & identifiers
- Preferred name
- [3-(6-Amino-pyridin-3-ylethynyl)-5-(4-chloro-phenyl)-pyrazolo[1,5-a]pyrimidin-7-yl]-methanol
- IUPAC
- [3-[2-(6-amino-3-pyridinyl)ethynyl]-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanol
Names & synonyms
SCHEMBL1348911BEZZZHLYGAZXLM-UHFFFAOYSA-N[3-(6-Amino-pyridin-3-ylethynyl)-5-(4-chloro-phenyl)-pyrazolo[1,5-a]pyrimidin-7-yl]-methanol
Database identifiers
- PubChem CID
- 67001053
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 569
Related reactions
5 records
Compound notes
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