Basic information
- Standard SMILES
COc1cc(N2CC3(CCCN3C)C2)c(N)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1- InChIKey
HSNKCASNVBIFTO-UHFFFAOYSA-N- Molecular formula
- C25H27ClN8O
- Average molar mass
- 491 g/mol
Names & identifiers
- Preferred name
- N'-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-4-methoxy-6-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)benzene-1,3-diamine
- IUPAC
- 3-N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-4-methoxy-6-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)benzene-1,3-diamine
Names & synonyms
SCHEMBL14663273HSNKCASNVBIFTO-UHFFFAOYSA-NN'-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-4-methoxy-6-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)benzene-1,3-diamine
Database identifiers
- PubChem CID
- 86677239
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 740
Related reactions
2 records
Compound notes
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