Basic information
- Standard SMILES
COc1ccccc1NC(=O)Nc1ccc(-c2c(C(N)=O)[nH]c3ncccc23)cc1- InChIKey
PDYNVUIHKRNIFF-UHFFFAOYSA-N- Molecular formula
- C22H19N5O3
- Average molar mass
- 401.4 g/mol
Names & identifiers
- Preferred name
- 3-{4-[3-(2-methoxyphenyl)ureido]phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
- IUPAC
- 3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
Names & synonyms
SCHEMBL1882403PDYNVUIHKRNIFF-UHFFFAOYSA-N3-{4-[3-(2-methoxyphenyl)ureido]phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
Database identifiers
- PubChem CID
- 57445294
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 610
Related reactions
2 records
Compound notes
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