Basic information
- Standard SMILES
COc1ccc(Cn2c(=O)n3ncnc3c3cc(C(F)CN4CCOCC4)cnc32)cc1- InChIKey
JNCPBIHAQORAFA-UHFFFAOYSA-N- Molecular formula
- C22H23FN6O3
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.18156678
Names & identifiers
- Preferred name
- 9-(1-fluoro-2-morpholinoethyl)-6-(4-methoxybenzyl)pyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
- IUPAC
- 12-(1-fluoro-2-morpholin-4-ylethyl)-8-[(4-methoxyphenyl)methyl]-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
Names & synonyms
9-(1-fluoro-2-morpholinoethyl)-6-(4-methoxybenzyl)pyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-oneCHEMBL5789777SCHEMBL16788499JNCPBIHAQORAFA-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86705396
- ChEMBL
CHEMBL5789777
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 645
Related reactions
2 records
Compound notes
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