sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate

C41H50IN6NaO13 — CID 157270982

About sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate

sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate (PubChem CID 157270982) has the molecular formula C41H50IN6NaO13 and a molecular weight of 984.77 g/mol. Its IUPAC name is sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate.

Molecular Properties

• Compound Name: sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate
• PubChem CID: 157270982
• Molecular Formula: C41H50IN6NaO13
• Molecular Weight: 984.77 g/mol
• Exact Mass: 984.24
• IUPAC Name: sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate
• SMILES: COC1(C)CCN(C2=C(C#N)C(=O)Cc3cnc(C(O)CO)cc32)CC1.COC1(C)CCN(C2=C(C#N)C(=O)Cc3cnc(C=O)cc32)CC1.OC1CCCO1.[Na+].[O-][I+3]([O-])([O-])[O-]
• InChI: InChI=1S/C19H23N3O4.C18H19N3O3.C4H8O2.IO4.Na/c1-19(26-2)3-5-22(6-4-19)18-13-8-15(17(25)11-23)21-10-12(13)7-16(24)14(18)9-20;1-18(24-2)3-5-21(6-4-18)17-14-8-13(11-22)20-10-12(14)7-16(23)15(17)9-19;5-4-2-1-3-6-4;2-1(3,4)5;/h8,10,17,23,25H,3-7,11H2,1-2H3;8,10-11H,3-7H2,1-2H3;4-5H,1-3H2;;/q;;;-1;+1
• InChIKey: AYNOGORVCZXEAN-UHFFFAOYSA-N
• XLogP: -7.91
• TPSA: 311.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.77
LogP ≤ 5	-7.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate?

The IUPAC name of sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate (CID 157270982) is sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate.

What is the SMILES notation for sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate?

The canonical SMILES for sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate is COC1(C)CCN(C2=C(C#N)C(=O)Cc3cnc(C(O)CO)cc32)CC1.COC1(C)CCN(C2=C(C#N)C(=O)Cc3cnc(C=O)cc32)CC1.OC1CCCO1.[Na+].[O-][I+3]([O-])([O-])[O-].

What is the InChIKey of sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate?

The InChIKey is AYNOGORVCZXEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4.C18H19N3O3.C4H8O2.IO4.Na/c1-19(26-2)3-5-22(6-4-19)18-13-8-15(17(25)11-23)21-10-12(13)7-16(24)14(18)9-20;1-18(24-2)3-5-21(6-4-18)17-14-8-13(11-22)20-10-12(14)7-16(23)15(17)9-19;5-4-2-1-3-6-4;2-1(3,4)5;/h8,10,17,23,25H,3-7,11H2,1-2H3;8,10-11H,3-7H2,1-2H3;4-5H,1-3H2;;/q;;;-1;+1.

What are the key properties of sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate?

sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate has a molecular weight of 984.77 g/mol, XLogP of -7.91, 7 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-(1,2-dihydroxyethyl)-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;3-formyl-5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;oxolan-2-ol;periodate is sourced from PubChem (CID 157270982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).