Basic information
- CAS
341966-38-9- Standard SMILES
O=c1c(NN=Cc2ccc(F)cc2)nc2cccnc2n1CCNc1ncc(C(F)(F)F)cc1Cl- InChIKey
QFLQTRZORQKCQV-UHFFFAOYSA-N- Molecular formula
- C22H16ClF4N7O
- Average molar mass
- 505.9 g/mol
Names & identifiers
- Preferred name
- 4-[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]pyrido[2,3-b]pyrazin-3-one
- IUPAC
- 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]pyrido[2,3-b]pyrazin-3-one
- English name
- 4-Fluorobenzenecarbaldehyde N-[4-(2-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-yl]hydrazone
- Molecular formula
- C22H16ClF4N7O
- Molecular weight
- 505.86
Names & synonyms
Benzaldehyde, 4-fluoro-, 2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3,4-dihydro-3-oxopyrido[2,3-b]pyrazin-2-yl]hydrazone4-Fluorobenzenecarbaldehyde N-[4-(2-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-yl]hydrazone4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-2-[(E)-2-[(4-fluorophenyl)methylidene]hydrazin-1-yl]-3H,4H-pyrido[2,3-b]pyrazin-3-one
Database identifiers
- CAS
341966-38-9
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 790
Physicochemical properties
- Boiling point
- 632.1 · 632.1±65.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 2.25 · 2.25±0.20(Predicted)
Chemistry & industry
Suppliers2 total
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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