Menu

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[1-(2-amino-2-oxoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide

Formula:C26H24N12O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[1-(2-amino-2-oxoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[1-(2-amino-2-oxoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide
MolecularFormulaC26H24N12O3
SmilesNC(Cn(cc1/C=N\NC(c2c(CN(CC3)c4c3cccc4)n(-c3nonc3N)nn2)=O)nc1-c1ccccc1)=O
InChIInChI=1S/C26H24N12O3/c27-21(39)15-37-13-18(22(32-37)17-7-2-1-3-8-17)12-29-31-26(40)23-20(38(35-30-23)25-24(28)33-41-34-25)14-36-11-10-16-6-4-5-9-19(16)36/h1-9,12-13H,10-11,14-15H2,(H2,27,39)(H2,28,33)(H,31,40)
InChIKRIJYBDBSZQRPRK-UHFFFAOYSA-N
TotalMolweight552.558
Molweight552.558
MonoisotopicMass552.209433
CLogP1.5957
CLogS-3.261
H Acceptors15
H Donors3
TotalSurfaceArea414.79
Relative PSA0.39982
PolarSurfaceArea201.26
Druglikeness4.9171
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.43902
Fragments1
Non HAtoms41
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms5
Symmetricatoms2
Amides1
Amines1
Aromatic Amines1
Aromatic Nitrogens7
StereoCon

Request More Details | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[1-(2-amino-2-oxoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments