Basic information
- Standard SMILES
O=C(Cc1ccc(Cl)cc1)Nc1cncc(C(=O)c2c[nH]c3ncncc23)c1- InChIKey
OILFQFKRWZVPLO-UHFFFAOYSA-N- Molecular formula
- C20H14ClN5O2
- Average molar mass
- 391.8 g/mol
Names & identifiers
- Preferred name
- 2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylcarbonyl)pyridin-3-yl]acetamide
- IUPAC
- 2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
Names & synonyms
CHEMBL3666305SCHEMBL12985372BDBM134838US8846698, 3082-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylcarbonyl)pyridin-3-yl]acetamide
Database identifiers
- PubChem CID
- 70817645
- ChEMBL
CHEMBL3666305
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 569
Related reactions
5 records
Compound notes
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