5,6-diamino-3-cyclopropyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile

Formula:C24H24N8OF Mutagenic:none Tumorigenic:none Reproductive Effective:none 5,6-diamino-3-cyclopropyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile is a drug-like molecule.

MolName	5,6-diamino-3-cyclopropyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile
MolecularFormula	C24H24N8OF
Smiles	Nc(nc(c(C1)c23)N(C4CC4)C1=O)c3c(N)[nH+]c(N(CC1)CCN1c(cc1)ccc1F)c2C#N
InChI	InChI=1S/C24H23FN8O/c25-13-1-3-14(4-2-13)31-7-9-32(10-8-31)23-17(12-26)19-16-11-18(34)33(15-5-6-15)24(16)30-22(28)20(19)21(27)29-23/h1-4,15H,5-11H2,(H2,27,29)(H2,28,30)/p+1
InChIK	ZYZBQHFKIGYZKL-UHFFFAOYSA-O
TotalMolweight	459.508
Molweight	459.508
MonoisotopicMass	459.20571
CLogP	0.1327
CLogS	-7.552
H Acceptors	9
H Donors	3
TotalSurfaceArea	316.24
Relative PSA	0.24905
PolarSurfaceArea	129.65
Druglikeness	-0.27797
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,3-diamino-aryl
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	9
Symmetricatoms	5
Amides	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - 5,6-diamino-3-cyclopropyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile | 2 - 5,6-diamino-3-cyclopropyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile

Request More Details | 5,6-diamino-3-cyclopropyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-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