Basic information
- Standard SMILES
CCCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1- InChIKey
JLTBOCSFMNSLFH-UHFFFAOYSA-N- Molecular formula
- C17H17ClN4O
- Average molar mass
- 328.8 g/mol
- Monoisotopic mass
- 328.1090889
Names & identifiers
- Preferred name
- N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-yl]pentanamide
- IUPAC
- N-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]pentanamide
Names & synonyms
Kinome_376SCHEMBL1045655CHEMBL2006450JLTBOCSFMNSLFH-UHFFFAOYSA-NN-[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-yl]pentanamide
Database identifiers
- PubChem CID
- 49830337
- ChEMBL
CHEMBL2006450
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Related reactions
1 records
Compound notes
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