(4R)-6-amino-4-(2,3-diethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Formula:C20H24N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4R)-6-amino-4-(2,3-diethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is a drug-like molecule.

MolName	(4R)-6-amino-4-(2,3-diethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MolecularFormula	C20H24N4O3
Smiles	CCCc1c([C@H](c(cccc2OCC)c2OCC)C(C#N)=C(N)O2)c2n[nH]1
InChI	InChI=1S/C20H24N4O3/c1-4-8-14-17-16(13(11-21)19(22)27-20(17)24-23-14)12-9-7-10-15(25-5-2)18(12)26-6-3/h7,9-10,16H,4-6,8,22H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIK	BLVMEMQQWQNGDB-INIZCTEOSA-N
TotalMolweight	368.436
Molweight	368.436
MonoisotopicMass	368.184841
CLogP	2.5673
CLogS	-5.496
H Acceptors	7
H Donors	2
TotalSurfaceArea	295.32
Relative PSA	0.28373
PolarSurfaceArea	106.18
Druglikeness	-5.8367
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	11
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	this enantiomer

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1 - (4R)-6-amino-4-(2,3-diethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | 2 - (4R)-6-amino-4-(2,3-diethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

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