Basic information
- Standard SMILES
CCOC(=O)CN1CCN(Cc2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1- InChIKey
ATJYDIOQFNWQJX-UHFFFAOYSA-N- Molecular formula
- C28H34N8O2
- Average molar mass
- 514.6 g/mol
Names & identifiers
- Preferred name
- Ethyl (4-((6-((9-cyclopentyl-9 H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-pyridinyl)methyl)-1-piperazinyl)acetate
- IUPAC
- ethyl 2-[4-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-1-yl]acetate
Names & synonyms
CHEMBL3702121SCHEMBL12557720ATJYDIOQFNWQJX-UHFFFAOYSA-NBDBM132470US8841312, 219Ethyl (4-((6-((9-cyclopentyl-9 H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-pyridinyl)methyl)-1-piperazinyl)acetateEthyl (4-((6-((9-cyclopentyl-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-pyridinyl)methyl)-1-piperazinyl)acetate
Database identifiers
- PubChem CID
- 58299758
- ChEMBL
CHEMBL3702121
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 774
Related reactions
4 records
Compound notes
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