8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C128H151N10O5+5 — CID 157478146

About 8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 157478146) has the molecular formula C128H151N10O5+5 and a molecular weight of 1919.74 g/mol. Its IUPAC name is 8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 157478146
• Molecular Formula: C128H151N10O5+5
• Molecular Weight: 1919.74 g/mol
• Exact Mass: 1918.25
• IUPAC Name: 8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• SMILES: CCc1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)cc1C(C)C.CCc1ccc2c(n1)oc1c(-c3cc(C(C)C)c(CC)c[n+]3C)c(C)ccc12.[2H]C([2H])(C)c1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)cc1C(C)C.[2H]C([2H])(C)c1c[n+](C)c(-c2c(C)ccc3c2oc2nc(CC)ccc23)cc1C(C)C.[2H]C([2H])(C)c1cc(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)[n+](C)cc1C([2H])(C)C([2H])([2H])[2H]
• InChI: InChI=1S/3C26H31N2O.2C25H29N2O/c2*1-8-18-14-28(7)23(13-21(18)15(2)3)24-17(6)9-10-19-20-11-12-22(16(4)5)27-26(20)29-25(19)24;1-8-18-13-23(28(7)14-21(18)15(2)3)24-17(6)9-10-19-20-11-12-22(16(4)5)27-26(20)29-25(19)24;2*1-7-17-14-27(6)22(13-21(17)15(3)4)23-16(5)9-11-19-20-12-10-18(8-2)26-25(20)28-24(19)23/h3*9-16H,8H2,1-7H3;2*9-15H,7-8H2,1-6H3/q5*+1/i8D2;;2D3,8D2,15D;7D2
• InChIKey: NOQRYDUNGRVDCP-TZRZVBTJSA-N
• XLogP: 31.83
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1919.74
LogP ≤ 5	31.83
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-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 157478146) is 8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is CCc1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)cc1C(C)C.CCc1ccc2c(n1)oc1c(-c3cc(C(C)C)c(CC)c[n+]3C)c(C)ccc12.[2H]C([2H])(C)c1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)cc1C(C)C.[2H]C([2H])(C)c1c[n+](C)c(-c2c(C)ccc3c2oc2nc(CC)ccc23)cc1C(C)C.[2H]C([2H])(C)c1cc(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)[n+](C)cc1C([2H])(C)C([2H])([2H])[2H].

What is the InChIKey of 8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is NOQRYDUNGRVDCP-TZRZVBTJSA-N. The full InChI is InChI=1S/3C26H31N2O.2C25H29N2O/c2*1-8-18-14-28(7)23(13-21(18)15(2)3)24-17(6)9-10-19-20-11-12-22(16(4)5)27-26(20)29-25(19)24;1-8-18-13-23(28(7)14-21(18)15(2)3)24-17(6)9-10-19-20-11-12-22(16(4)5)27-26(20)29-25(19)24;2*1-7-17-14-27(6)22(13-21(17)15(3)4)23-16(5)9-11-19-20-12-10-18(8-2)26-25(20)28-24(19)23/h3*9-16H,8H2,1-7H3;2*9-15H,7-8H2,1-6H3/q5*+1/i8D2;;2D3,8D2,15D;7D2;.

What are the key properties of 8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1919.74 g/mol, XLogP of 31.83, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1-dideuterioethyl)-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1-dideuterioethyl)-1-methyl-5-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(5-ethyl-1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 157478146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).