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

C137H169N10O5+5 — CID 158540531

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

2-ethyl-7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-[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;7-methyl-8-[1-methyl-4,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 158540531) has the molecular formula C137H169N10O5+5 and a molecular weight of 2043.97 g/mol. Its IUPAC name is 2-ethyl-7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-[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;7-methyl-8-[1-methyl-4,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-ethyl-7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-[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;7-methyl-8-[1-methyl-4,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 158540531
• Molecular Formula: C137H169N10O5+5
• Molecular Weight: 2043.97 g/mol
• Exact Mass: 2042.38
• IUPAC Name: 2-ethyl-7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-[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;7-methyl-8-[1-methyl-4,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-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.CCc1ccc2c(n1)oc1c(-c3cc(CC(C)C)c(C(C)C)c[n+]3C)c(C)ccc12.Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1cc(C(C)C)c(CC(C)C)c[n+]1C.Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1cc(CC(C)C)c(C(C)C)c[n+]1C.[2H]C([2H])([2H])C([2H])(C)c1cc(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)[n+](C)cc1C([2H])(C)C([2H])([2H])[2H]
• InChI: InChI=1S/2C28H35N2O.3C27H33N2O/c1-16(2)13-20-15-30(8)25(14-23(20)17(3)4)26-19(7)9-10-21-22-11-12-24(18(5)6)29-28(22)31-27(21)26;1-16(2)13-20-14-25(30(8)15-23(20)17(3)4)26-19(7)9-10-21-22-11-12-24(18(5)6)29-28(22)31-27(21)26;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;1-8-20-10-12-22-21-11-9-18(6)25(26(21)30-27(22)28-20)24-14-19(13-16(2)3)23(17(4)5)15-29(24)7/h2*9-12,14-18H,13H2,1-8H3;9-17H,1-8H3;2*9-12,14-17H,8,13H2,1-7H3/q5*+1/i;;1D3,3D3,15D,16D
• InChIKey: XBEFGYGGVZWDEF-IMVWTFPCSA-N
• XLogP: 34.93
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2043.97
LogP ≤ 5	34.93
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 2-ethyl-7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-[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;7-methyl-8-[1-methyl-4,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 2-ethyl-7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-[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;7-methyl-8-[1-methyl-4,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 158540531) is 2-ethyl-7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-[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;7-methyl-8-[1-methyl-4,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

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

The canonical SMILES for 2-ethyl-7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-[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;7-methyl-8-[1-methyl-4,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-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.CCc1ccc2c(n1)oc1c(-c3cc(CC(C)C)c(C(C)C)c[n+]3C)c(C)ccc12.Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1cc(C(C)C)c(CC(C)C)c[n+]1C.Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1cc(CC(C)C)c(C(C)C)c[n+]1C.[2H]C([2H])([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 2-ethyl-7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-[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;7-methyl-8-[1-methyl-4,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is XBEFGYGGVZWDEF-IMVWTFPCSA-N. The full InChI is InChI=1S/2C28H35N2O.3C27H33N2O/c1-16(2)13-20-15-30(8)25(14-23(20)17(3)4)26-19(7)9-10-21-22-11-12-24(18(5)6)29-28(22)31-27(21)26;1-16(2)13-20-14-25(30(8)15-23(20)17(3)4)26-19(7)9-10-21-22-11-12-24(18(5)6)29-28(22)31-27(21)26;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;1-8-20-10-12-22-21-11-9-18(6)25(26(21)30-27(22)28-20)24-14-19(13-16(2)3)23(17(4)5)15-29(24)7/h2*9-12,14-18H,13H2,1-8H3;9-17H,1-8H3;2*9-12,14-17H,8,13H2,1-7H3/q5*+1/i;;1D3,3D3,15D,16D;;.

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

2-ethyl-7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-[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;7-methyl-8-[1-methyl-4,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 2043.97 g/mol, XLogP of 34.93, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-[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;7-methyl-8-[1-methyl-4,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4-(2-methylpropyl)-5-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 158540531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).