5,6-diamino-3-(3-fluorophenyl)-2-oxo-8-pyrrolidin-1-yl-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile

Formula:C21H19N7OF Mutagenic:none Tumorigenic:none Reproductive Effective:none 5,6-diamino-3-(3-fluorophenyl)-2-oxo-8-pyrrolidin-1-yl-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile is a drug-like molecule.

MolName	5,6-diamino-3-(3-fluorophenyl)-2-oxo-8-pyrrolidin-1-yl-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile
MolecularFormula	C21H19N7OF
Smiles	Nc(c1c(N)[nH+]c2N3CCCC3)nc(N(C(C3)=O)c4cccc(F)c4)c3c1c2C#N
InChI	InChI=1S/C21H18FN7O/c22-11-4-3-5-12(8-11)29-15(30)9-13-16-14(10-23)20(28-6-1-2-7-28)26-18(24)17(16)19(25)27-21(13)29/h3-5,8H,1-2,6-7,9H2,(H2,24,26)(H2,25,27)/p+1
InChIK	CZWVNGKVFZKBTD-UHFFFAOYSA-O
TotalMolweight	404.428
Molweight	404.428
MonoisotopicMass	404.163511
CLogP	0.6369
CLogS	-8.08
H Acceptors	8
H Donors	3
TotalSurfaceArea	279.42
Relative PSA	0.26916
PolarSurfaceArea	126.41
Druglikeness	-2.8464
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,3-diamino-aryl
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - 5,6-diamino-3-(3-fluorophenyl)-2-oxo-8-pyrrolidin-1-yl-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile | 2 - 5,6-diamino-3-(3-fluorophenyl)-2-oxo-8-pyrrolidin-1-yl-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile

Request More Details | 5,6-diamino-3-(3-fluorophenyl)-2-oxo-8-pyrrolidin-1-yl-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments