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

Formula:C21H24N6O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(4-benzylpiperazin-1-yl)-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide is a drug-like molecule.

MolName	4-(4-benzylpiperazin-1-yl)-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
MolecularFormula	C21H24N6O3
Smiles	O=C(CCC(N1CCN(Cc2ccccc2)CC1)=O)Nc(cc1)nc(N2)c1NC2=O
InChI	InChI=1S/C21H24N6O3/c28-18(23-17-7-6-16-20(24-17)25-21(30)22-16)8-9-19(29)27-12-10-26(11-13-27)14-15-4-2-1-3-5-15/h1-7H,8-14H2,(H3,22,23,24,25,28,30)
InChIK	ARQWHUVUPXQTEW-UHFFFAOYSA-N
TotalMolweight	408.461
Molweight	408.461
MonoisotopicMass	408.190989
CLogP	1.3061
CLogS	-3.692
H Acceptors	9
H Donors	3
TotalSurfaceArea	309.33
Relative PSA	0.29603
PolarSurfaceArea	106.67
Druglikeness	6.8102
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amides	4
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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