Basic information
- Standard SMILES
CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CC4CN5C(=O)OC(C)(C)C)cn3)nc2n1C1CCCCCC1- InChIKey
YXVQFQBJUDOWAS-UHFFFAOYSA-N- Molecular formula
- C32H42N8O4
- Average molar mass
- 602.7 g/mol
Names & identifiers
- Preferred name
- 5-[6-(7-Cycloheptyl-6-dimethylcarbamoyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-pyridine-3-carbonyl]-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 5-[6-[[7-cycloheptyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-3-carbonyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Names & synonyms
SCHEMBL2298920YXVQFQBJUDOWAS-UHFFFAOYSA-N5-[6-(7-Cycloheptyl-6-dimethylcarbamoyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-pyridine-3-carbonyl]-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67354533
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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