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Basic information
- Standard SMILES
Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCC3)nc21- InChIKey
LPAMCBPWGRTOCP-UHFFFAOYSA-N- Molecular formula
- C19H18FN5O
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.14953838
Names & identifiers
- Preferred name
- 1-(2-(6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl)-1-ethynyl)-1-cyclopentanol
- IUPAC
- 1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclopentan-1-ol
Names & synonyms
1-(2-(6-amino-8-(3-fluorophenyl)-9-methyl-9h-2-purinyl)-1-ethynyl)-1-cyclopentanol1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl]-1-cyclopentanol1-{2-(6-Amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl}-1-cyclopentanol1-{2-[6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl}-1-cyclopentanol1-AFPMPE-cyclopentanolRefChem:907189CHEMBL2976851-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclopentanolSCHEMBL5973197LPAMCBPWGRTOCP-UHFFFAOYSA-NBDBM50095790DB-328800
Show more names
E-32101-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclopentan-1-ol1-[2-[6-AMINO-9-METHYL-8-(3-FLUOROPHENYL)-9H-2-PURINYL]-1-ETHYNYL]-1-CYCLOPENTANOL232252-63-0
Database identifiers
- PubChem CID
- 9841364
- ChEMBL
CHEMBL297685- Nikkaji
- J1.489.170F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 583
Related reactions
9 records
Compound notes
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