3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine

C105H105N10O5+5 — CID 157250667

About 3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine

3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 157250667) has the molecular formula C105H105N10O5+5 and a molecular weight of 1591.08 g/mol. Its IUPAC name is 3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 157250667
• Molecular Formula: C105H105N10O5+5
• Molecular Weight: 1591.08 g/mol
• Exact Mass: 1589.85
• IUPAC Name: 3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine
• SMILES: Cc1ccc2c(oc3cnccc32)c1-c1cc(C(C)C)cc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cc(C(C)C)cc[n+]1C.Cc1cnc2c(oc3ccccc32)c1-c1cc(C(C)C)cc[n+]1C.Cc1ncc2c(oc3ccccc32)c1-c1cc(C(C)C)cc[n+]1C.[2H]C([2H])([2H])C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2oc2cccnc23)c1
• InChI: InChI=1S/5C21H21N2O/c1-13(2)15-8-10-23(4)18(11-15)20-14(3)5-6-17-16-7-9-22-12-19(16)24-21(17)20;1-13(2)15-9-11-23(4)17(12-15)19-14(3)7-8-16-20-18(24-21(16)19)6-5-10-22-20;1-13(2)15-9-11-23(4)18(12-15)19-14(3)7-8-16-17-6-5-10-22-21(17)24-20(16)19;1-13(2)15-9-10-23(4)18(11-15)20-14(3)22-12-17-16-7-5-6-8-19(16)24-21(17)20;1-13(2)15-9-10-23(4)17(11-15)19-14(3)12-22-20-16-7-5-6-8-18(16)24-21(19)20/h5*5-13H,1-4H3/q5*+1/i;1D3,13D
• InChIKey: YSPWOYINYMYQHO-JQGWLJKUSA-N
• XLogP: 24.52
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1591.08
LogP ≤ 5	24.52
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 3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine (CID 157250667) is 3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine is Cc1ccc2c(oc3cnccc32)c1-c1cc(C(C)C)cc[n+]1C.Cc1ccc2c(oc3ncccc32)c1-c1cc(C(C)C)cc[n+]1C.Cc1cnc2c(oc3ccccc32)c1-c1cc(C(C)C)cc[n+]1C.Cc1ncc2c(oc3ccccc32)c1-c1cc(C(C)C)cc[n+]1C.[2H]C([2H])([2H])C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2oc2cccnc23)c1.

What is the InChIKey of 3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine?

The InChIKey is YSPWOYINYMYQHO-JQGWLJKUSA-N. The full InChI is InChI=1S/5C21H21N2O/c1-13(2)15-8-10-23(4)18(11-15)20-14(3)5-6-17-16-7-9-22-12-19(16)24-21(17)20;1-13(2)15-9-11-23(4)17(12-15)19-14(3)7-8-16-20-18(24-21(16)19)6-5-10-22-20;1-13(2)15-9-11-23(4)18(12-15)19-14(3)7-8-16-17-6-5-10-22-21(17)24-20(16)19;1-13(2)15-9-10-23(4)18(11-15)20-14(3)22-12-17-16-7-5-6-8-19(16)24-21(17)20;1-13(2)15-9-10-23(4)17(11-15)19-14(3)12-22-20-16-7-5-6-8-18(16)24-21(19)20/h5*5-13H,1-4H3/q5*+1/i;1D3,13D;;;.

What are the key properties of 3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine?

3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1591.08 g/mol, XLogP of 24.52, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;3-methyl-4-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine;7-methyl-6-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 157250667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).