Basic information
- Standard SMILES
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)N5CCCCC5)CC4)cn3)nc2n1C1CCCC1- InChIKey
UKSSOERBIHXEIJ-UHFFFAOYSA-N- Molecular formula
- C29H39N9O2
- Average molar mass
- 545.7 g/mol
- Monoisotopic mass
- 545.32267152
Names & identifiers
- Preferred name
- 7-cyclopentyl-2-{5-[4-(piperidine-1-carbonyl)-piperazin-1-yl]-pyridin-2-ylamino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide
- IUPAC
- 7-cyclopentyl-N,N-dimethyl-2-[[5-[4-(piperidine-1-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
Names & synonyms
SCHEMBL1989773CHEMBL3658077UKSSOERBIHXEIJ-UHFFFAOYSA-NBDBM148282US8962630, 947-cyclopentyl-2-{5-[4-(piperidine-1-carbonyl)-piperazin-1-yl]-pyridin-2-ylamino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide
Database identifiers
- PubChem CID
- 58315411
- ChEMBL
CHEMBL3658077
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 870
Related reactions
5 records
Compound notes
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