Basic information
- Standard SMILES
CCn1nccc1-c1cn(COC(=O)C(C)(C)C)c2ncc(Br)cc12- InChIKey
HIIQRZOBLVLFPH-UHFFFAOYSA-N- Molecular formula
- C18H21BrN4O2
- Average molar mass
- 405.3 g/mol
Names & identifiers
- Preferred name
- 2,2-dimethyl-propionic acid 5-bromo-3-(2-ethyl-2H-pyrazol-3-yl)-pyrrolo[2,3-b]pyridin-1-ylmethyl ester
- IUPAC
- [5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate
Names & synonyms
SCHEMBL3560214HIIQRZOBLVLFPH-UHFFFAOYSA-N2,2-dimethyl-propionic acid 5-bromo-3-(2-ethyl-2H-pyrazol-3-yl)-pyrrolo[2,3-b]pyridin-1-ylmethyl ester
Database identifiers
- PubChem CID
- 57731487
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Related reactions
4 records
Compound notes
Loading…