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5-[2-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one

Formula:C33H26N6O2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[2-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one is not a drug-like molecule.
MolName5-[2-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
MolecularFormulaC33H26N6O2F2
SmilesO=C(CN(C=Nc1c2cnn1-c1ccccc1)C2=O)N(C(C1CCC2)c(cc3)ccc3F)N=C1/C2=C/c(cc1)ccc1F
InChIInChI=1S/C33H26F2N6O2/c34-24-13-9-21(10-14-24)17-23-5-4-8-27-30(23)38-41(31(27)22-11-15-25(35)16-12-22)29(42)19-39-20-36-32-28(33(39)43)18-37-40(32)26-6-2-1-3-7-26/h1-3,6-7,9-18,20,27,31H,4-5,8,19H2
InChIKCJARFOLVKOWQFC-UHFFFAOYSA-N
TotalMolweight576.605
Molweight576.605
MonoisotopicMass576.20853
CLogP4.3775
CLogS-6.448
H Acceptors8
TotalSurfaceArea421.28
Relative PSA0.17575
PolarSurfaceArea83.16
Druglikeness3.0702
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48837
Fragments1
Non HAtoms43
NonCHAtoms10
Electronegative Atoms10
StereoCenters2
Rotatable Bond5
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms6
Amides1
Aromatic Nitrogens2
StereoConunknown chirality

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