Basic information
- Standard SMILES
CC1CN(Cc2ccc3nccnc3c2)CC1c1nc2c(cnn2C(C)C)c(=O)[nH]1- InChIKey
ZAOLCNVFLBSPTP-UHFFFAOYSA-N- Molecular formula
- C22H25N7O
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.21205845
Names & identifiers
- Preferred name
- 6-[4-methyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-3-yl]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
- IUPAC
- 6-[4-methyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-3-yl]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
Names & synonyms
SCHEMBL1718240
Database identifiers
- PubChem CID
- 136390915
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 682
Related reactions
1 records
Compound notes
Loading…