(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide

Formula:C29H31N5O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide is not a drug-like molecule.

MolName	(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide
MolecularFormula	C29H31N5O4S
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(N2CCCCC2)(=O)=O)c1
InChI	InChI=1S/C29H31N5O4S/c30-19-23(29(35)31-20-26-12-8-16-38-26)17-24-21-34(25-10-3-1-4-11-25)32-28(24)22-9-7-13-27(18-22)39(36,37)33-14-5-2-6-15-33/h1,3-4,7,9-11,13,17-18,21,26H,2,5-6,8,12,14-16,20H2,(H,31,35)/t26-/m1/s1
InChIK	PAYISELTNFRUBZ-AREMUKBSSA-N
TotalMolweight	545.662
Molweight	545.662
MonoisotopicMass	545.209675
CLogP	2.7052
CLogS	-4.556
H Acceptors	9
H Donors	1
TotalSurfaceArea	414.59
Relative PSA	0.23645
PolarSurfaceArea	125.7
Druglikeness	-3.4307
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	12
Symmetricatoms	5
Amides	2
Aromatic Nitrogens	2
StereoCon	racemate

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