2-(3,5-dimethoxyphenyl)-5-phenyl-7-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

Formula:C28H27N7O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(3,5-dimethoxyphenyl)-5-phenyl-7-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is a drug-like molecule.

MolName	2-(3,5-dimethoxyphenyl)-5-phenyl-7-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
MolecularFormula	C28H27N7O2
Smiles	COc1cc(-c2nn3c(N(CC4)CCN4c4nccnc4)cc(-c4ccccc4)nc3c2)cc(OC)c1
InChI	InChI=1S/C28H27N7O2/c1-36-22-14-21(15-23(16-22)37-2)25-17-26-31-24(20-6-4-3-5-7-20)18-28(35(26)32-25)34-12-10-33(11-13-34)27-19-29-8-9-30-27/h3-9,14-19H,10-13H2,1-2H3
InChIK	JXFFKFOLDGSABU-UHFFFAOYSA-N
TotalMolweight	493.569
Molweight	493.569
MonoisotopicMass	493.222623
CLogP	2.8973
CLogS	-5.94
H Acceptors	9
TotalSurfaceArea	379.49
Relative PSA	0.20799
PolarSurfaceArea	80.91
Druglikeness	6.3076
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45946
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	9
Symmetricatoms	8
Aromatic Nitrogens	5
BasicNitrogens	1
StereoCon

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