Basic information
- Standard SMILES
COc1cc(N2CC[C@@H](N(C)C)C2)c(N)cc1Nc1ncc(C#N)c(-c2cnn3ccccc23)n1- InChIKey
XYYQALMBAGQPDN-QGZVFWFLSA-N- Molecular formula
- C25H27N9O
- Average molar mass
- 469.5 g/mol
Names & identifiers
- Preferred name
- 2-({5-Amino-4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxyphenyl}amino)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidine-5-carbonitrile
- IUPAC
- 2-[5-amino-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxyanilino]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL14718577SCHEMBL29974554SCHEMBL30108199XYYQALMBAGQPDN-QGZVFWFLSA-N2-({5-Amino-4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxyphenyl}amino)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 89414484
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 758
Related reactions
1 records
Compound notes
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