Basic information
- Standard SMILES
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CC(C)=O)c1- InChIKey
LPNZJXCCNGVBSD-UHFFFAOYSA-N- Molecular formula
- C26H33N5O3
- Average molar mass
- 463.6 g/mol
- Monoisotopic mass
- 463.25833993
Names & identifiers
- Preferred name
- N-[[1,6-Diethyl-4-[(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-(2-oxopropyl)benzamide
- IUPAC
- N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-(2-oxopropyl)benzamide
Names & synonyms
SCHEMBL1314856LPNZJXCCNGVBSD-UHFFFAOYSA-NN-[[1,6-Diethyl-4-[(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-(2-oxopropyl)benzamide
Database identifiers
- PubChem CID
- 58505292
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 685
Related reactions
7 records
Compound notes
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