4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide

Formula:C18H20N8O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide is not a drug-like molecule.

MolName	4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
MolecularFormula	C18H20N8O3
Smiles	O=C(CCC(N(CC1)CCN1c1ncccn1)=O)Nc(cc1)nc(N2)c1NC2=O
InChI	InChI=1S/C18H20N8O3/c27-14(22-13-3-2-12-16(23-13)24-18(29)21-12)4-5-15(28)25-8-10-26(11-9-25)17-19-6-1-7-20-17/h1-3,6-7H,4-5,8-11H2,(H3,21,22,23,24,27,29)
InChIK	MOQIBBBRUXCCQC-UHFFFAOYSA-N
TotalMolweight	396.41
Molweight	396.41
MonoisotopicMass	396.165837
CLogP	0.1895
CLogS	-3.481
H Acceptors	11
H Donors	3
TotalSurfaceArea	293.09
Relative PSA	0.38729
PolarSurfaceArea	132.45
Druglikeness	5.994
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	4
Aromatic Nitrogens	3
StereoCon

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1 - 4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide | 2 - 4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide

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