Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC2CN(c3nc(N)nc4c3CCCc3ccccc3-4)CC21- InChIKey
MZKIFWHBFVZHSJ-UHFFFAOYSA-N- Molecular formula
- C25H33N5O2
- Average molar mass
- 435.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 6-(2-amino-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-4-yl)octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate
- IUPAC
- tert-butyl 6-(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxylate
Names & synonyms
SCHEMBL4873785MZKIFWHBFVZHSJ-UHFFFAOYSA-Ntert-butyl 6-(2-amino-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-4-yl)octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate
Database identifiers
- PubChem CID
- 69224862
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 682
Related reactions
2 records
Compound notes
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