(6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione

C24H22N6O5 — CID 67318619

IUPAC(6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione
SMILESC[C@@H]1CN2c3ncc(-c4noc(-c5ccccc5)n4)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C24H22N6O5/c1-12-11-30-17(13(2)34-12)24(21(31)27-23(33)28-22(24)32)9-15-8-16(10-25-19(15)30)18-26-20(35-29-18)14-6-4-3-5-7-14/h3-8,10,12-13,17H,9,11H2,1-2H3,(H2,27,28,31,32,33)/t12-,13+,17-/m1/s1
InChIKeyYDFVSYFEHPTDJV-IIYDPXPESA-N
MW474.48 g/mol
LogP1.69
Rot. Bonds2

About (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione

(6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione (PubChem CID 67318619) has the molecular formula C24H22N6O5 and a molecular weight of 474.48 g/mol. Its IUPAC name is (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione.

Molecular Properties

Compound Name(6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione
PubChem CID67318619
Molecular FormulaC24H22N6O5
Molecular Weight474.48 g/mol
Exact Mass474.17
IUPAC Name(6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione
SMILESC[C@@H]1CN2c3ncc(-c4noc(-c5ccccc5)n4)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
InChIInChI=1S/C24H22N6O5/c1-12-11-30-17(13(2)34-12)24(21(31)27-23(33)28-22(24)32)9-15-8-16(10-25-19(15)30)18-26-20(35-29-18)14-6-4-3-5-7-14/h3-8,10,12-13,17H,9,11H2,1-2H3,(H2,27,28,31,32,33)/t12-,13+,17-/m1/s1
InChIKeyYDFVSYFEHPTDJV-IIYDPXPESA-N
XLogP1.69
TPSA139.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione?
The IUPAC name of (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione (CID 67318619) is (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione.
What is the SMILES notation for (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione?
The canonical SMILES for (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione is C[C@@H]1CN2c3ncc(-c4noc(-c5ccccc5)n4)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.
What is the InChIKey of (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione?
The InChIKey is YDFVSYFEHPTDJV-IIYDPXPESA-N. The full InChI is InChI=1S/C24H22N6O5/c1-12-11-30-17(13(2)34-12)24(21(31)27-23(33)28-22(24)32)9-15-8-16(10-25-19(15)30)18-26-20(35-29-18)14-6-4-3-5-7-14/h3-8,10,12-13,17H,9,11H2,1-2H3,(H2,27,28,31,32,33)/t12-,13+,17-/m1/s1.
What are the key properties of (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione?
(6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione has a molecular weight of 474.48 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6'aS,7'S,9'R)-7',9'-dimethyl-3'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1,3-diazinane-5,6'-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[4,3-a][1,8]naphthyridine]-2,4,6-trione is sourced from PubChem (CID 67318619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).