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

Formula:C23H22N7O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5,6-diamino-3-(1,3-benzodioxol-5-yl)-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile is not a drug-like molecule.

MolName	5,6-diamino-3-(1,3-benzodioxol-5-yl)-8-[(3R)-3-hydroxypiperidin-1-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile
MolecularFormula	C23H22N7O4
Smiles	Nc(c1c(N)[nH+]c2N(CCC3)C[C@@H]3O)nc(N(C(C3)=O)c(cc4)cc5c4OCO5)c3c1c2C#N
InChI	InChI=1S/C23H21N7O4/c24-8-14-18-13-7-17(32)30(11-3-4-15-16(6-11)34-10-33-15)23(13)28-21(26)19(18)20(25)27-22(14)29-5-1-2-12(31)9-29/h3-4,6,12,31H,1-2,5,7,9-10H2,(H2,25,27)(H2,26,28)/p+1/t12-/m1/s1
InChIK	IAYAOMCXVFLCCK-GFCCVEGCSA-O
TotalMolweight	460.473
Molweight	460.473
MonoisotopicMass	460.173328
CLogP	0.1374
CLogS	-8.348
H Acceptors	11
H Donors	4
TotalSurfaceArea	312.18
Relative PSA	0.34695
PolarSurfaceArea	165.1
Druglikeness	-0.38529
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,3-diamino-aryl
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	2
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	10
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon	this enantiomer

Click to Load Molecule:

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

Request More Details | 5,6-diamino-3-(1,3-benzodioxol-5-yl)-8-[(3R)-3-hydroxypiperidin-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