Basic information
- Standard SMILES
CN(CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1)C(=O)OC(C)(C)C- InChIKey
HVFADYXFHJVGHB-UHFFFAOYSA-N- Molecular formula
- C30H35N7O4
- Average molar mass
- 557.6 g/mol
- Monoisotopic mass
- 557.27505262
Names & identifiers
- Preferred name
- tert-butyl N-(2-{4-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidino}-2-oxoethyl)-N-methylcarbamate
- IUPAC
- tert-butyl N-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]-N-methylcarbamate
Names & synonyms
SCHEMBL6430393HVFADYXFHJVGHB-UHFFFAOYSA-Ntert-butyl N-(2-{4-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidino}-2-oxoethyl)-N-methylcarbamate
Database identifiers
- PubChem CID
- 22346983
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 879
Related reactions
3 records
Compound notes
Loading…