Basic information
- Standard SMILES
CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5COCC(C4)N5)cn3)nc2n1C1CCCC1- InChIKey
QGOHDQPMIZUYRB-UHFFFAOYSA-N- Molecular formula
- C26H32N8O3
- Average molar mass
- 504.6 g/mol
Names & identifiers
- Preferred name
- 7-Cyclopentyl-2-[5-(3-oxa-7,9-diaza-bicyclo[3.3.1]nonane-7-carbonyl)-pyridin-2-ylamino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide
- IUPAC
- 7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
Names & synonyms
SCHEMBL2300927CHEMBL3691611QGOHDQPMIZUYRB-UHFFFAOYSA-NBDBM147030US8957074, 707-Cyclopentyl-2-[5-(3-oxa-7,9-diaza-bicyclo[3.3.1]nonane-7-carbonyl)-pyridin-2-ylamino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide
Database identifiers
- PubChem CID
- 67355426
- ChEMBL
CHEMBL3691611
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 827
Related reactions
2 records
Compound notes
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