5-amino-3-[(Z)-1-cyano-2-(2,3,5,6-tetrafluoro-4-piperidin-1-ylphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Formula:C20H18N6OF4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-1-cyano-2-(2,3,5,6-tetrafluoro-4-piperidin-1-ylphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-(2,3,5,6-tetrafluoro-4-piperidin-1-ylphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
MolecularFormula	C20H18N6OF4
Smiles	Nc(n(CCO)nc1/C(/C#N)=C/c(c(F)c(c(N2CCCCC2)c2F)F)c2F)c1C#N
InChI	InChI=1S/C20H18F4N6O/c21-14-12(15(22)17(24)19(16(14)23)29-4-2-1-3-5-29)8-11(9-25)18-13(10-26)20(27)30(28-18)6-7-31/h8,31H,1-7,27H2
InChIK	FWGOSKYRNJBHQK-UHFFFAOYSA-N
TotalMolweight	434.396
Molweight	434.396
MonoisotopicMass	434.147821
CLogP	1.5241
CLogS	-5.54
H Acceptors	7
H Donors	2
TotalSurfaceArea	322.5
Relative PSA	0.23839
PolarSurfaceArea	114.89
Druglikeness	-2.78
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	6
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
StereoCon

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