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

Formula:C20H21N6O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[4-(4-chlorophenyl)piperazin-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-(4-chlorophenyl)piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
MolecularFormula	C20H21N6O3Cl
Smiles	O=C(CCC(N(CC1)CCN1c(cc1)ccc1Cl)=O)Nc(cc1)nc(N2)c1NC2=O
InChI	InChI=1S/C20H21ClN6O3/c21-13-1-3-14(4-2-13)26-9-11-27(12-10-26)18(29)8-7-17(28)23-16-6-5-15-19(24-16)25-20(30)22-15/h1-6H,7-12H2,(H3,22,23,24,25,28,30)
InChIK	HGVUGIWSRYLINV-UHFFFAOYSA-N
TotalMolweight	428.879
Molweight	428.879
MonoisotopicMass	428.136366
CLogP	1.9892
CLogS	-4.95
H Acceptors	9
H Donors	3
TotalSurfaceArea	310.99
Relative PSA	0.29445
PolarSurfaceArea	106.67
Druglikeness	6.0216
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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

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