Basic information
- Standard SMILES
CCCc1nc2c(C)ccnc2n1Cc1ccc2nn(-c3ccccc3C(=O)OCC)c(Br)c2c1- InChIKey
BTGWHDKPCMKEAM-UHFFFAOYSA-N- Molecular formula
- C27H26BrN5O2
- Average molar mass
- 532.4 g/mol
Names & identifiers
- Preferred name
- 3-[3-bromo-2-(2-ethoxycarbonylphenyl)-2H-indazol-5-yl]methyl-7-methyl-2-propyl-3H-imidazo[4,5-b]pyridine
- IUPAC
- ethyl 2-[3-bromo-5-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]indazol-2-yl]benzoate
Names & synonyms
SCHEMBL9135937BTGWHDKPCMKEAM-UHFFFAOYSA-N3-[3-bromo-2-(2-ethoxycarbonylphenyl)-2H-indazol-5-yl]methyl-7-methyl-2-propyl-3H-imidazo[4,5-b]pyridine
Database identifiers
- PubChem CID
- 20094532
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 728
Related reactions
4 records
Compound notes
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