Basic information
- Standard SMILES
C=CCn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc21- InChIKey
YGGZUNSRHITWSP-UHFFFAOYSA-N- Molecular formula
- C25H21N5O2
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.16952493
Names & identifiers
- Preferred name
- 7-allyl-5-methyl-2-(1-naphthylmethyl)-3-(4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
- IUPAC
- 5-methyl-2-(naphthalen-1-ylmethyl)-7-prop-2-enyl-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidine-4,6-dione
Names & synonyms
SCHEMBL5407769YGGZUNSRHITWSP-UHFFFAOYSA-N7-allyl-5-methyl-2-(1-naphthylmethyl)-3-(4-pyridinyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Database identifiers
- PubChem CID
- 58980964
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 723
Related reactions
2 records
Compound notes
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