5-amino-3-[(Z)-1-cyano-2-(2-morpholin-4-ylquinolin-3-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile

Formula:C26H21N7O Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-3-[(Z)-1-cyano-2-(2-morpholin-4-ylquinolin-3-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-(2-morpholin-4-ylquinolin-3-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C26H21N7O
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2cc3ccccc3nc2N2CCOCC2)c1C#N
InChI	InChI=1S/C26H21N7O/c27-16-20(24-22(17-28)25(29)33(31-24)21-7-2-1-3-8-21)15-19-14-18-6-4-5-9-23(18)30-26(19)32-10-12-34-13-11-32/h1-9,14-15H,10-13,29H2
InChIK	XCNWXEAELBCSNI-UHFFFAOYSA-N
TotalMolweight	447.501
Molweight	447.501
MonoisotopicMass	447.180758
CLogP	2.4015
CLogS	-6.096
H Acceptors	8
H Donors	1
TotalSurfaceArea	352.59
Relative PSA	0.24036
PolarSurfaceArea	116.78
Druglikeness	-0.64
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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