Basic information
- Standard SMILES
CC1CN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC(C)N1- InChIKey
JRVLCPFGZSZGRN-UHFFFAOYSA-N- Molecular formula
- C25H29FN8
- Average molar mass
- 460.5 g/mol
- Monoisotopic mass
- 460.24992112
Names & identifiers
- Preferred name
- 9-Cyclopentyl-N-(5-(3,5-dimethyl-1-piperazinyl)-2-pyridinyl)-8-fluoro-9H-pyrido-[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine
- IUPAC
- 8-cyclopentyl-N-[5-(3,5-dimethylpiperazin-1-yl)-2-pyridinyl]-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
Names & synonyms
SCHEMBL1976136CHEMBL3702094JRVLCPFGZSZGRN-UHFFFAOYSA-NBDBM132442US8841312, 1899-Cyclopentyl-N-(5-(3,5-dimethyl-1-piperazinyl)-2-pyridinyl)-8-fluoro-9H-pyrido-[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine
Database identifiers
- PubChem CID
- 58299846
- ChEMBL
CHEMBL3702094
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 682
Related reactions
2 records
Compound notes
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