8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine

C118H131N10O5+5 — CID 158758112

About 8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine

8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 158758112) has the molecular formula C118H131N10O5+5 and a molecular weight of 1783.50 g/mol. Its IUPAC name is 8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 158758112
• Molecular Formula: C118H131N10O5+5
• Molecular Weight: 1783.50 g/mol
• Exact Mass: 1782.12
• IUPAC Name: 8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1c[n+](C)c(-c2c(C)ccc3c2oc2ncccc23)cc1CC(C)C.Cc1ccc2c(n1)oc1c(-c3cc(CC(C)C)c(C)c[n+]3C)c(C)ccc12.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C)ccc23)cc1C.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2ncccc23)cc1C.[2H]C([2H])(c1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C)ccc23)cc1C)C(C)C
• InChI: InChI=1S/3C24H27N2O.2C23H25N2O/c1-14(2)11-18-12-21(26(6)13-16(18)4)22-15(3)7-9-19-20-10-8-17(5)25-24(20)27-23(19)22;2*1-14(2)11-18-13-26(6)21(12-16(18)4)22-15(3)7-9-19-20-10-8-17(5)25-24(20)27-23(19)22;1-14(2)11-17-12-20(25(5)13-16(17)4)21-15(3)8-9-18-19-7-6-10-24-23(19)26-22(18)21;1-14(2)11-17-13-25(5)20(12-16(17)4)21-15(3)8-9-18-19-7-6-10-24-23(19)26-22(18)21/h3*7-10,12-14H,11H2,1-6H3;2*6-10,12-14H,11H2,1-5H3/q5*+1/i;1D3,11D2,14D;11D2;;1D3,11D2,14D
• InChIKey: OXWPYVDHQYVYLQ-UHUYEPMTSA-N
• XLogP: 27.36
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1783.50
LogP ≤ 5	27.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine (CID 158758112) is 8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine is Cc1c[n+](C)c(-c2c(C)ccc3c2oc2ncccc23)cc1CC(C)C.Cc1ccc2c(n1)oc1c(-c3cc(CC(C)C)c(C)c[n+]3C)c(C)ccc12.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C)ccc23)cc1C.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])c1c[n+](C)c(-c2c(C)ccc3c2oc2ncccc23)cc1C.[2H]C([2H])(c1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C)ccc23)cc1C)C(C)C.

What is the InChIKey of 8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is OXWPYVDHQYVYLQ-UHUYEPMTSA-N. The full InChI is InChI=1S/3C24H27N2O.2C23H25N2O/c1-14(2)11-18-12-21(26(6)13-16(18)4)22-15(3)7-9-19-20-10-8-17(5)25-24(20)27-23(19)22;2*1-14(2)11-18-13-26(6)21(12-16(18)4)22-15(3)7-9-19-20-10-8-17(5)25-24(20)27-23(19)22;1-14(2)11-17-12-20(25(5)13-16(17)4)21-15(3)8-9-18-19-7-6-10-24-23(19)26-22(18)21;1-14(2)11-17-13-25(5)20(12-16(17)4)21-15(3)8-9-18-19-7-6-10-24-23(19)26-22(18)21/h3*7-10,12-14H,11H2,1-6H3;2*6-10,12-14H,11H2,1-5H3/q5*+1/i;1D3,11D2,14D;11D2;;1D3,11D2,14D.

What are the key properties of 8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine?

8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1783.50 g/mol, XLogP of 27.36, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,2,3,3,3-hexadeuterio-2-methylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 158758112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).