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4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyrido[2,3-b]pyrazin-3-one

Formula:C22H16N7OClF4 Mutagenic:none Tumorigenic:high Reproductive Effective:low 4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyrido[2,3-b]pyrazin-3-one is not a drug-like molecule.
MolName4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyrido[2,3-b]pyrazin-3-one
MolecularFormulaC22H16N7OClF4
SmilesO=C1N(CCNc(ncc(C(F)(F)F)c2)c2Cl)c2ncccc2N=C1N/N=C\c(cc1)ccc1F
InChIInChI=1S/C22H16ClF4N7O/c23-16-10-14(22(25,26)27)12-30-18(16)28-8-9-34-20-17(2-1-7-29-20)32-19(21(34)35)33-31-11-13-3-5-15(24)6-4-13/h1-7,10-12H,8-9H2,(H,28,30)(H,32,33)
InChIKQFLQTRZORQKCQV-UHFFFAOYSA-N
TotalMolweight505.862
Molweight505.862
MonoisotopicMass505.104097
CLogP3.2406
CLogS-6.213
H Acceptors8
H Donors2
TotalSurfaceArea354.25
Relative PSA0.23845
PolarSurfaceArea94.87
Druglikeness-0.38799
Mutagenicnone
Tumorigenichigh
Reproductive Effectivelow
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.57143
Fragments1
Non HAtoms35
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms4
Amides1
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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