Basic information
- Standard SMILES
COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(Br)cc34)cn2)cn1- InChIKey
YVOVOQRECRSBNZ-UHFFFAOYSA-N- Molecular formula
- C20H18BrN5O
- Average molar mass
- 424.3 g/mol
Names & identifiers
- Preferred name
- [5-(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-pyridin-2-yl]-(6-methoxy-pyridin-3-ylmethyl)-amine
- IUPAC
- 5-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-amine
Names & synonyms
SCHEMBL1886661YVOVOQRECRSBNZ-UHFFFAOYSA-N[5-(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-pyridin-2-yl]-(6-methoxy-pyridin-3-ylmethyl)-amine
Database identifiers
- PubChem CID
- 67200583
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 470
Related reactions
2 records
Compound notes
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