sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate

C37H38IN6NaO9 — CID 158339346

About sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate

sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate (PubChem CID 158339346) has the molecular formula C37H38IN6NaO9 and a molecular weight of 860.64 g/mol. Its IUPAC name is sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate.

Molecular Properties

• Compound Name: sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate
• PubChem CID: 158339346
• Molecular Formula: C37H38IN6NaO9
• Molecular Weight: 860.64 g/mol
• Exact Mass: 860.16
• IUPAC Name: sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate
• SMILES: N#CC1=C(N2CCC3(CC2)CC3)c2cc(C(O)CO)ncc2CC1=O.N#CC1=C(N2CCC3(CC2)CC3)c2cc(C=O)ncc2CC1=O.[Na+].[O-][I+3]([O-])([O-])[O-]
• InChI: InChI=1S/C19H21N3O3.C18H17N3O2.IO4.Na/c20-9-14-16(24)7-12-10-21-15(17(25)11-23)8-13(12)18(14)22-5-3-19(1-2-19)4-6-22;19-9-15-16(23)7-12-10-20-13(11-22)8-14(12)17(15)21-5-3-18(1-2-18)4-6-21;2-1(3,4)5;/h8,10,17,23,25H,1-7,11H2;8,10-11H,1-7H2;;/q;;-1;+1
• InChIKey: GQYTWTUUDBOHCZ-UHFFFAOYSA-N
• XLogP: -7.27
• TPSA: 263.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.64
LogP ≤ 5	-7.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate?

The IUPAC name of sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate (CID 158339346) is sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate.

What is the SMILES notation for sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate?

The canonical SMILES for sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate is N#CC1=C(N2CCC3(CC2)CC3)c2cc(C(O)CO)ncc2CC1=O.N#CC1=C(N2CCC3(CC2)CC3)c2cc(C=O)ncc2CC1=O.[Na+].[O-][I+3]([O-])([O-])[O-].

What is the InChIKey of sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate?

The InChIKey is GQYTWTUUDBOHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.C18H17N3O2.IO4.Na/c20-9-14-16(24)7-12-10-21-15(17(25)11-23)8-13(12)18(14)22-5-3-19(1-2-19)4-6-22;19-9-15-16(23)7-12-10-20-13(11-22)8-14(12)17(15)21-5-3-18(1-2-18)4-6-21;2-1(3,4)5;/h8,10,17,23,25H,1-7,11H2;8,10-11H,1-7H2;;/q;;-1;+1.

What are the key properties of sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate?

sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate has a molecular weight of 860.64 g/mol, XLogP of -7.27, 5 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-(6-azaspiro[2.5]octan-6-yl)-3-(1,2-dihydroxyethyl)-7-oxo-8H-isoquinoline-6-carbonitrile;5-(6-azaspiro[2.5]octan-6-yl)-3-formyl-7-oxo-8H-isoquinoline-6-carbonitrile;periodate is sourced from PubChem (CID 158339346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).