Basic information
- Standard SMILES
CCN(C(=O)c1c(C)nn(C)c1C)c1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1- InChIKey
RYIRCRZKWHPYDA-UHFFFAOYSA-N- Molecular formula
- C32H34FN7O3
- Average molar mass
- 583.7 g/mol
- Monoisotopic mass
- 583.27071613
Names & identifiers
- Preferred name
- 1,3,5-trimethyl-1H-pyrazole-4-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-ethyl-amide
- IUPAC
- N-[4-[[3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-N-ethyl-1,3,5-trimethylpyrazole-4-carboxamide
Names & synonyms
SCHEMBL6098205RYIRCRZKWHPYDA-UHFFFAOYSA-N1,3,5-trimethyl-1H-pyrazole-4-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-ethyl-amide
Database identifiers
- PubChem CID
- 58739247
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
2 records
Compound notes
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