2-[4-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide

Formula:C31H29N5O4 Mutagenic:none Tumorigenic:high Reproductive Effective:low 2-[4-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide is not a drug-like molecule.

MolName	2-[4-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
MolecularFormula	C31H29N5O4
Smiles	Cc(c([C@@H]1c(cc2)cc(OC)c2OCC(Nc2cc(C)c(C)cc2)=O)c2OC(N)=C1C#N)nn2-c1ccccc1
InChI	InChI=1S/C31H29N5O4/c1-18-10-12-22(14-19(18)2)34-27(37)17-39-25-13-11-21(15-26(25)38-4)29-24(16-32)30(33)40-31-28(29)20(3)35-36(31)23-8-6-5-7-9-23/h5-15,29H,17,33H2,1-4H3,(H,34,37)/t29-/m1/s1
InChIK	QOFSSFWRNSNIRV-GDLZYMKVSA-N
TotalMolweight	535.602
Molweight	535.602
MonoisotopicMass	535.221955
CLogP	3.6401
CLogS	-7.591
H Acceptors	9
H Donors	2
TotalSurfaceArea	414.66
Relative PSA	0.24398
PolarSurfaceArea	124.42
Druglikeness	-0.3066
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	9
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	this enantiomer

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1 - 2-[4-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide | 2 - 2-[4-[(4S)-6-amino-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide

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