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

Formula:C21H23N6O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[4-[(4-fluorophenyl)methyl]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-fluorophenyl)methyl]piperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
MolecularFormula	C21H23N6O3F
Smiles	O=C(CCC(N1CCN(Cc(cc2)ccc2F)CC1)=O)Nc(cc1)nc(N2)c1NC2=O
InChI	InChI=1S/C21H23FN6O3/c22-15-3-1-14(2-4-15)13-27-9-11-28(12-10-27)19(30)8-7-18(29)24-17-6-5-16-20(25-17)26-21(31)23-16/h1-6H,7-13H2,(H3,23,24,25,26,29,31)
InChIK	HTDWLWSECAWNTK-UHFFFAOYSA-N
TotalMolweight	426.451
Molweight	426.451
MonoisotopicMass	426.181567
CLogP	1.4069
CLogS	-4.006
H Acceptors	9
H Donors	3
TotalSurfaceArea	315.68
Relative PSA	0.29007
PolarSurfaceArea	106.67
Druglikeness	5.4702
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67742
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
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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