Basic information
- Standard SMILES
COC(=O)N1CCC(n2ncc3c(N4CC5CCC(C4)O5)nc(-c4ccc(NC(=O)NCCN(C)C)cc4)nc32)CC1- InChIKey
FUKWPKIOVGXMMR-UHFFFAOYSA-N- Molecular formula
- C29H39N9O4
- Average molar mass
- 577.7 g/mol
Names & identifiers
- Preferred name
- methyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(4-(3-(2-(dimethylamino)ethyl)ureido)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
- IUPAC
- methyl 4-[6-[4-[2-(dimethylamino)ethylcarbamoylamino]phenyl]-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL55633FUKWPKIOVGXMMR-UHFFFAOYSA-Nmethyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(4-(3-(2-(dimethylamino)ethyl)ureido)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 57424443
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 915
Related reactions
1 records
Compound notes
Loading…