(4S)-6-amino-3-tert-butyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Formula:C20H24N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4S)-6-amino-3-tert-butyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is a drug-like molecule.

MolName	(4S)-6-amino-3-tert-butyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MolecularFormula	C20H24N4O2
Smiles	CC(C)Oc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c23)cc1
InChI	InChI=1S/C20H24N4O2/c1-11(2)25-13-8-6-12(7-9-13)15-14(10-21)18(22)26-19-16(15)17(23-24-19)20(3,4)5/h6-9,11,15H,22H2,1-5H3,(H,23,24)/t15-/m0/s1
InChIK	WMOSTIZWDKCMSW-HNNXBMFYSA-N
TotalMolweight	352.437
Molweight	352.437
MonoisotopicMass	352.189926
CLogP	2.9583
CLogS	-5.943
H Acceptors	6
H Donors	2
TotalSurfaceArea	277.71
Relative PSA	0.26571
PolarSurfaceArea	96.95
Druglikeness	-7.1363
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Symmetricatoms	5
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	this enantiomer

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1 - (4S)-6-amino-3-tert-butyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | 2 - (4S)-6-amino-3-tert-butyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

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