Basic information
- Standard SMILES
CNC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2c[nH]c3ccc(Cl)cc23)n(C)c1- InChIKey
OZINQXLAUFULHK-UHFFFAOYSA-N- Molecular formula
- C26H28ClN7O3
- Average molar mass
- 522 g/mol
- Monoisotopic mass
- 521.1942155
Names & identifiers
- Preferred name
- 5-{2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-N,1-dimethyl-1H-pyrrole-3-carboxamide
- IUPAC
- 5-[2-[(5-chloro-1H-indol-3-yl)methyl]-5-methyl-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-N,1-dimethylpyrrole-3-carboxamide
Names & synonyms
5-{2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-N,1-dimethyl-1H-pyrrole-3-carboxamide5-{2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-N,1-dimethyl-1H-pyrrole-3-carboxamideSCHEMBL5398829OZINQXLAUFULHK-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 11533740
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 905
Related reactions
2 records
Compound notes
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