tert-butyl 4-(3-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1-(ethoxycarbonyl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)ureido)piperidine-1-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOC(=O)N1CCC(n2ncc3c(N4CC5CCC(C4)O5)nc(-c4ccc(NC(=O)NC5CCN(C(=O)OC(C)(C)C)CC5)cc4)nc32)CC1- InChIKey
PFZPGGIJNWGLEN-UHFFFAOYSA-N- Molecular formula
- C36H49N9O6
- Average molar mass
- 703.8 g/mol
- Monoisotopic mass
- 703.38058032
Names & identifiers
- Preferred name
- tert-butyl 4-(3-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1-(ethoxycarbonyl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)ureido)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[4-[1-(1-ethoxycarbonylpiperidin-4-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoylamino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL54721PFZPGGIJNWGLEN-UHFFFAOYSA-Ntert-butyl 4-(3-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1-(ethoxycarbonyl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)ureido)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 25262467
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,200
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Related reactions
2 records
Compound notes
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