Basic information
- Standard SMILES
Cn1cc(-c2cnc3[nH]cc(-c4cn(Cc5ccccc5)nn4)c3c2)cn1- InChIKey
MAXJGCOPFGSFNE-UHFFFAOYSA-N- Molecular formula
- C20H17N7
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 3-(1-benzyltriazol-4-yl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
Names & synonyms
SCHEMBL286188MAXJGCOPFGSFNE-UHFFFAOYSA-N3-(1-benzyl-1H-1,2,3-triazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
Database identifiers
- PubChem CID
- 49784288
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 497
Related reactions
2 records
Compound notes
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