Basic information
- Standard SMILES
Cc1nc(-n2cncn2)ccc1Oc1ncnc2c1cnn2C1CCN(C(=O)OC(C)C)CC1- InChIKey
VGWKHUPOAPKTGR-UHFFFAOYSA-N- Molecular formula
- C22H25N9O3
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.20803569
Names & identifiers
- Preferred name
- 4-[4-(2-Methyl-6-[1,2,4]triazol-1-yl-pyridin-3-yloxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid isopropyl ester
- IUPAC
- propan-2-yl 4-[4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1128604VGWKHUPOAPKTGR-UHFFFAOYSA-N4-[4-(2-methyl-6-[1,2,4]triazol-1-yl-pyridin-3-yloxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid isopropyl ester
Database identifiers
- PubChem CID
- 44514400
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 693
Related reactions
2 records
Compound notes
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