Basic information
- Standard SMILES
CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(=O)O)cn3C)n(Cc3n[nH]c4ccc(Cl)cc34)nc21- InChIKey
BOMBGWFUBPXYKW-UHFFFAOYSA-N- Molecular formula
- C24H24ClN7O4
- Average molar mass
- 509.9 g/mol
- Monoisotopic mass
- 509.15783
Names & identifiers
- Preferred name
- 5-{2-[(5-chloro-1H-indazol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid
- IUPAC
- 5-[2-[(5-chloro-2H-indazol-3-yl)methyl]-5-methyl-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-1-methylpyrrole-3-carboxylic acid
Names & synonyms
SCHEMBL5402651BOMBGWFUBPXYKW-UHFFFAOYSA-N5-{2-[(5-chloro-1H-indazol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid
Database identifiers
- PubChem CID
- 58981133
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 893
Related reactions
1 records
Compound notes
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