Basic information
- Standard SMILES
CCCc1nc2c(C)ccnc2n1Cc1ccc2nn(-c3ccccc3C(=O)O)c(Br)c2c1- InChIKey
VLLPEFHCDPUHRI-UHFFFAOYSA-N- Molecular formula
- C25H22BrN5O2
- Average molar mass
- 504.4 g/mol
Names & identifiers
- Preferred name
- 3-[3-bromo-2-(2-carboxyphenyl)-2H-indazol-5-yl]methyl-7-methyl-2-propyl-3H-imidazo[4,5-b]pyridine
- IUPAC
- 2-[3-bromo-5-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]indazol-2-yl]benzoic acid
Names & synonyms
SCHEMBL9135680VLLPEFHCDPUHRI-UHFFFAOYSA-N3-[3-bromo-2-(2-carboxyphenyl)-2H-indazol-5-yl]methyl-7-methyl-2-propyl-3H-imidazo[4,5-b]pyridine
Database identifiers
- PubChem CID
- 20094547
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 698
Related reactions
2 records
Compound notes
Loading…