(2-anilino-2-oxoethyl) (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate

Formula:C25H20N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-anilino-2-oxoethyl) (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.

MolName	(2-anilino-2-oxoethyl) (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C25H20N4O3
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cnccc1)=O)Nc1ccccc1
InChI	InChI=1S/C25H20N4O3/c30-23(27-21-9-3-1-4-10-21)18-32-24(31)14-13-20-17-29(22-11-5-2-6-12-22)28-25(20)19-8-7-15-26-16-19/h1-17H,18H2,(H,27,30)
InChIK	FGLQMXLZVQQFHD-UHFFFAOYSA-N
TotalMolweight	424.459
Molweight	424.459
MonoisotopicMass	424.153541
CLogP	2.6123
CLogS	-4.119
H Acceptors	7
H Donors	1
TotalSurfaceArea	336.48
Relative PSA	0.22691
PolarSurfaceArea	86.11
Druglikeness	2.5084
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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