N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-N-(4-phenoxyphenyl)butanediamide

Formula:C22H19N5O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-N-(4-phenoxyphenyl)butanediamide is a drug-like molecule.

MolNameN'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-N-(4-phenoxyphenyl)butanediamide
MolecularFormulaC22H19N5O4
SmilesO=C(CCC(Nc(cc1)nc(N2)c1NC2=O)=O)Nc(cc1)ccc1Oc1ccccc1
InChIInChI=1S/C22H19N5O4/c28-19(23-14-6-8-16(9-7-14)31-15-4-2-1-3-5-15)12-13-20(29)25-18-11-10-17-21(26-18)27-22(30)24-17/h1-11H,12-13H2,(H,23,28)(H3,24,25,26,27,29,30)
InChIKHRFMYYBMQZGLAK-UHFFFAOYSA-N
TotalMolweight417.424
Molweight417.424
MonoisotopicMass417.143705
CLogP2.6474
CLogS-6.966
H Acceptors9
H Donors4
TotalSurfaceArea314.65
Relative PSA0.33666
PolarSurfaceArea121.45
Druglikeness0.0245
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.67742
Fragments1
Non HAtoms31
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms4
Amides4
Aromatic Nitrogens1
StereoCon

Request More Details | N'-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-N-(4-phenoxyphenyl)butanediamide


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