Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(n2nc(I)c3c(N)ncnc32)C1- InChIKey
FJVXFVCBMHGHCE-UHFFFAOYSA-N- Molecular formula
- C13H17IN6O2
- Average molar mass
- 416.22 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)azetane-1-carboxylate
- IUPAC
- tert-butyl 3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)azetidine-1-carboxylate
Names & synonyms
461699-22-9tert-Butyl 3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)azetane-1-carboxylate3-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)-azetidine-1-carboxylic acid tert-butyl estertert-butyl 3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)azetidine-1-carboxylateMFCD316288481-Azetidinecarboxylic acid, 3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-, 1,1-dimethylethyl estertert-butyl 3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)azetidine-1-carboxylatetert-butyl 3-{4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl}azetidine-1-carboxylateSCHEMBL3782020SCHEMBL29588527C13H17IN6O2FJVXFVCBMHGHCE-UHFFFAOYSA-N
Show more names
AKOS037647568AS-74117CS-0042289D72156F613829A1-12311t-Butyl 3-(4-amino-3-iodo-1H-pyraZolo[3,4-d]pyrimidin-1-yl)aZetane-1-carboxylatetert-butyl 3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-1-azetanecarboxylate
Database identifiers
- PubChem CID
- 22346992
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Related reactions
9 records
Compound notes
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