Basic information
- Standard SMILES
Cn1cc(-c2cnc3c(c2)c(-c2cn(Cc4ccccc4)nn2)cn3C(=O)OC(C)(C)C)cn1- InChIKey
ZLTYQXMYXIWCAA-UHFFFAOYSA-N- Molecular formula
- C25H25N7O2
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
- IUPAC
- tert-butyl 3-(1-benzyltriazol-4-yl)-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
Names & synonyms
SCHEMBL719766ZLTYQXMYXIWCAA-UHFFFAOYSA-Ntert-butyl 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
Database identifiers
- PubChem CID
- 66778317
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 710
Related reactions
3 records
Linked notes
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