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

C130H155N10O5+5 — CID 159496954

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

8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-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;2-ethyl-7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 159496954) has the molecular formula C130H155N10O5+5 and a molecular weight of 1944.78 g/mol. Its IUPAC name is 8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-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;2-ethyl-7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-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;2-ethyl-7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 159496954
• Molecular Formula: C130H155N10O5+5
• Molecular Weight: 1944.78 g/mol
• Exact Mass: 1943.26
• IUPAC Name: 8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-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;2-ethyl-7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• SMILES: CCc1ccc2c(n1)oc1c(-c3cc(C(C)C)c(C(C)C)c[n+]3C)c(C)ccc12.Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1cc(C(C)C)c(C(C)C)c[n+]1C.[2H]C(C)(C)c1cc(-c2c(C)ccc3c2oc2nc(CC)ccc23)[n+](C)cc1C(C)C.[2H]C([2H])(C)c1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)cc1C([2H])(C)C.[2H]C([2H])(C)c1c[n+](C)c(-c2c(C)ccc3c2oc2nc(CC)ccc23)cc1C([2H])(C)C
• InChI: InChI=1S/C27H33N2O.3C26H31N2O.C25H29N2O/c1-15(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;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;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;1-7-17-14-27(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/h9-17H,1-8H3;3*9-16H,8H2,1-7H3;9-15H,7-8H2,1-6H3/q5*+1/i;15D;;8D2,15D;7D2,15D
• InChIKey: RKDCRUWLJYOWAA-KCWQZZHLSA-N
• XLogP: 32.95
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1944.78
LogP ≤ 5	32.95
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)-5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-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;2-ethyl-7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-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;2-ethyl-7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 159496954) is 8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-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;2-ethyl-7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

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

The canonical SMILES for 8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-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;2-ethyl-7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is CCc1ccc2c(n1)oc1c(-c3cc(C(C)C)c(C(C)C)c[n+]3C)c(C)ccc12.Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1cc(C(C)C)c(C(C)C)c[n+]1C.[2H]C(C)(C)c1cc(-c2c(C)ccc3c2oc2nc(CC)ccc23)[n+](C)cc1C(C)C.[2H]C([2H])(C)c1c[n+](C)c(-c2c(C)ccc3c2oc2nc(C(C)C)ccc23)cc1C([2H])(C)C.[2H]C([2H])(C)c1c[n+](C)c(-c2c(C)ccc3c2oc2nc(CC)ccc23)cc1C([2H])(C)C.

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

The InChIKey is RKDCRUWLJYOWAA-KCWQZZHLSA-N. The full InChI is InChI=1S/C27H33N2O.3C26H31N2O.C25H29N2O/c1-15(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;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;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;1-7-17-14-27(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/h9-17H,1-8H3;3*9-16H,8H2,1-7H3;9-15H,7-8H2,1-6H3/q5*+1/i;15D;;8D2,15D;7D2,15D.

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

8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-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;2-ethyl-7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1944.78 g/mol, XLogP of 32.95, 20 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)-5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[4-(2-deuteriopropan-2-yl)-5-(1,1-dideuterioethyl)-1-methylpyridin-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;2-ethyl-7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[1-methyl-4,5-di(propan-2-yl)pyridin-1-ium-2-yl]-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159496954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).