Basic information
- Standard SMILES
Cc1cc2[nH]c(=O)c3cnc4c(cnn4Cc4ccco4)c3n2n1- InChIKey
RDDGEVRFYADLNA-UHFFFAOYSA-N- Molecular formula
- C16H12N6O2
- Average molar mass
- 320.31 g/mol
Names & identifiers
- Preferred name
- 8-furfuryl-2-methyl-4H-pyrazolo[1,5-a]pyrazolo-[4',3':5,6]pyrido[3,4-e]pyrimidin-5(8H)-one
- IUPAC
- 13-(furan-2-ylmethyl)-4-methyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one
Names & synonyms
SCHEMBL11421474SCHEMBL11600540RDDGEVRFYADLNA-UHFFFAOYSA-N8-furfuryl-2-methyl-4H-pyrazolo[1,5-a]pyrazolo-[4',3':5,6]pyrido[3,4-e]pyrimidin-5(8H)-one8-furfuryl-2-methyl-4H-pyrazolo[1,5-a]pyrazolo[4',3':5,6]pyrido[3,4-e]pyrimidin-5(8H)-one
Database identifiers
- PubChem CID
- 135705376
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Related reactions
3 records
Compound notes
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