1-benzyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid
Basic information
- Standard SMILES
O=C(O)c1cnc2c(n1)c(-c1ccc3ccccc3c1)nn2Cc1ccccc1- InChIKey
QXBNISNGTKNPSK-UHFFFAOYSA-N- Molecular formula
- C23H16N4O2
- Average molar mass
- 380.4 g/mol
Names & identifiers
- Preferred name
- 1-benzyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid
- IUPAC
- 1-benzyl-3-naphthalen-2-ylpyrazolo[3,4-b]pyrazine-5-carboxylic acid
Names & synonyms
SCHEMBL4149126QXBNISNGTKNPSK-UHFFFAOYSA-N1-benzyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid
Database identifiers
- PubChem CID
- 59797376
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 581
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Related reactions
1 records
Compound notes
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