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(2Z)-7-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-2-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

Formula:C48H46N8OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-7-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-2-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is not a drug-like molecule.
MolName(2Z)-7-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-2-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
MolecularFormulaC48H46N8OS
SmilesNC(N(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2C2(CC(C3)C4)CC4CC3C2)=O)C1=C(C1c2cn(-c3ccccc3)nc2C2(CC(C3)C4)CC4CC3C2)C#N)=C1C#N
InChIInChI=1S/C48H46N8OS/c49-24-37-41(39-27-55(36-9-5-2-6-10-36)53-43(39)48-21-31-14-32(22-48)16-33(15-31)23-48)38(25-50)46-56(44(37)51)45(57)40(58-46)17-34-26-54(35-7-3-1-4-8-35)52-42(34)47-18-28-11-29(19-47)13-30(12-28)20-47/h1-10,17,26-33,41H,11-16,18-23,51
InChIKRYCHZRJRQYBFLB-SYOZGZCMSA-N
TotalMolweight783.014
Molweight783.014
MonoisotopicMass782.351527
CLogP6.4092
CLogS-11.61
H Acceptors9
H Donors1
TotalSurfaceArea561.93
Relative PSA0.19958
PolarSurfaceArea154.85
Druglikeness1.2049
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.34483
Fragments1
Non HAtoms58
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond6
Rings Closures12
Small Rings14
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms22
Symmetricatoms16
Amides1
Aromatic Nitrogens4
BasicNitrogens1
StereoConracemate

Request More Details | (2Z)-7-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-2-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile


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