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

C133H161N10O5+5 — CID 159944578

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

8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;2-ethyl-7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 159944578) has the molecular formula C133H161N10O5+5 and a molecular weight of 2003.96 g/mol. Its IUPAC name is 8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;2-ethyl-7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;2-ethyl-7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 159944578
• Molecular Formula: C133H161N10O5+5
• Molecular Weight: 2003.96 g/mol
• Exact Mass: 2002.41
• IUPAC Name: 8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;2-ethyl-7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• SMILES: CCc1ccc2c(n1)oc1c(-c3cc(C(C)C)c(CC(C)C)c[n+]3C)c(C)ccc12.[2H]C(C)(C)c1cc(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)[n+](C)cc1C(C)C.[2H]C(C)(C)c1cc(-c2c(C)ccc3c2oc2nc(CC)ccc23)[n+](C)cc1C(C)C.[2H]C([2H])([2H])C([2H])(C)c1cc(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)[n+](C)cc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(C)c1cc(-c2c(C)ccc3c2oc2nc(CC)ccc23)[n+](C)cc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
• InChI: InChI=1S/3C27H33N2O.2C26H31N2O/c2*1-15(2)21-13-24(29(8)14-22(21)16(3)4)25-18(7)9-10-19-20-11-12-23(17(5)6)28-27(20)30-26(19)25;1-8-20-10-12-22-21-11-9-18(6)25(26(21)30-27(22)28-20)24-14-23(17(4)5)19(13-16(2)3)15-29(24)7;2*1-8-18-10-12-20-19-11-9-17(6)24(25(19)29-26(20)27-18)23-13-21(15(2)3)22(16(4)5)14-28(23)7/h2*9-17H,1-8H3;9-12,14-17H,8,13H2,1-7H3;2*9-16H,8H2,1-7H3/q5*+1/i1D3,3D3,4D3,15D,16D;15D;;2D3,4D3,5D3,15D,16D;15D
• InChIKey: QSCZJFLZPAQFTP-IZDPCZMUSA-N
• XLogP: 34.15
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2003.96
LogP ≤ 5	34.15
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-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;2-ethyl-7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;2-ethyl-7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 159944578) is 8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;2-ethyl-7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

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

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

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

The InChIKey is QSCZJFLZPAQFTP-IZDPCZMUSA-N. The full InChI is InChI=1S/3C27H33N2O.2C26H31N2O/c2*1-15(2)21-13-24(29(8)14-22(21)16(3)4)25-18(7)9-10-19-20-11-12-23(17(5)6)28-27(20)30-26(19)25;1-8-20-10-12-22-21-11-9-18(6)25(26(21)30-27(22)28-20)24-14-23(17(4)5)19(13-16(2)3)15-29(24)7;2*1-8-18-10-12-20-19-11-9-17(6)24(25(19)29-26(20)27-18)23-13-21(15(2)3)22(16(4)5)14-28(23)7/h2*9-17H,1-8H3;9-12,14-17H,8,13H2,1-7H3;2*9-16H,8H2,1-7H3/q5*+1/i1D3,3D3,4D3,15D,16D;15D;;2D3,4D3,5D3,15D,16D;15D.

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

8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;2-ethyl-7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 2003.96 g/mol, XLogP of 34.15, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-1-methyl-5-propan-2-ylpyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;2-ethyl-8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;2-ethyl-7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;8-[5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159944578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).