N-[(4-Fluorophenyl)methyl]-6-imino-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Basic information
- CAS
877778-47-7- Standard SMILES
CCCCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3cccc(C)c3nc21- InChIKey
KGYUSKDEAATWLY-UHFFFAOYSA-N- Molecular formula
- C25H26FN5O2
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- N-[(4-Fluorophenyl)methyl]-6-imino-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
- IUPAC
- N-[(4-fluorophenyl)methyl]-6-imino-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
- English name
- N-(4-fluorobenzyl)-2-imino-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
- Molecular formula
- C25H26FN5O2
- Molecular weight
- 447.5
Names & synonyms
877778-47-7N-[(4-Fluorophenyl)methyl]-6-imino-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamideN-(4-fluorobenzyl)-2-imino-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamideSTK707402AKOS005184578AO-022/43454908Z1213744795N-(4-fluorobenzyl)-2-imino-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamideN-(4-fluorobenzyl)-2-imino-10-methyl-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-[(4-fluorophenyl)methyl]-1,5-dihydro-2-imino-10-methyl-5-oxo-1-pentyl-
Database identifiers
- CAS
877778-47-7
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 998
Physicochemical properties
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 11.24 · 11.24±0.20(Predicted)
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Compound notes
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