Basic information
- Standard SMILES
O=C(Cc1ccsc1)Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1- InChIKey
BSPVSBWUYJGRBP-UHFFFAOYSA-N- Molecular formula
- C23H16ClN5OS
- Average molar mass
- 445.9 g/mol
- Monoisotopic mass
- 445.076409
Names & identifiers
- Preferred name
- N-{3-[3-(2-Chloro-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}-2-(3-thienyl)acetamide
- IUPAC
- N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2-thiophen-3-ylacetamide
Names & synonyms
SCHEMBL3539821BSPVSBWUYJGRBP-UHFFFAOYSA-NN-{3-[3-(2-Chloro-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}-2-(3-thienyl)acetamide
Database identifiers
- PubChem CID
- 57737204
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 627
Related reactions
3 records
Compound notes
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