Basic information
- Standard SMILES
COc1ccc(Cn2c(=O)n3ncnc3c3cc(N4CCN(C5CC5)CC4)cnc32)cc1- InChIKey
QOOHCDKXBNNZOK-UHFFFAOYSA-N- Molecular formula
- C23H25N7O2
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- 9-(4-cyclopropylpiperazin-1-yl)-6-(4-methoxybenzyl)pyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
- IUPAC
- 12-(4-cyclopropylpiperazin-1-yl)-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-(4-cyclopropylpiperazin-1-yl)-6-(4-methoxybenzyl)pyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-oneCHEMBL5909905SCHEMBL16788474QOOHCDKXBNNZOK-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86705388
- ChEMBL
CHEMBL5909905
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 675
Related reactions
2 records
Compound notes
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