3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium

C60H90N15+5 — CID 157253476

About 3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium

3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium (PubChem CID 157253476) has the molecular formula C60H90N15+5 and a molecular weight of 1021.48 g/mol. Its IUPAC name is 3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium.

Molecular Properties

• Compound Name: 3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium
• PubChem CID: 157253476
• Molecular Formula: C60H90N15+5
• Molecular Weight: 1021.48 g/mol
• Exact Mass: 1020.75
• IUPAC Name: 3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium
• SMILES: CC[n+]1c(C)n(C)c2cc(C)nc(C)c21.CC[n+]1c(C)n(C)c2ccnc(C)c21.CCn1c(C)[n+](C)c2c(C)c(C)nc(C)c21.CCn1c(C)[n+](C)c2c(C)c(C)ncc21.CCn1c(C)[n+](C)c2c(C)cnc(C)c21
• InChI: InChI=1S/C13H20N3.3C12H18N3.C11H16N3/c1-7-16-11(5)15(6)12-8(2)9(3)14-10(4)13(12)16;1-6-15-10(4)14(5)12-8(2)9(3)13-7-11(12)15;1-6-15-10(4)14(5)11-8(2)7-13-9(3)12(11)15;1-6-15-10(4)14(5)11-7-8(2)13-9(3)12(11)15;1-5-14-9(3)13(4)10-6-7-12-8(2)11(10)14/h7H2,1-6H3;3*7H,6H2,1-5H3;6-7H,5H2,1-4H3/q5*+1
• InChIKey: QJWMSOSICGXLHY-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 108.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.48
LogP ≤ 5	9.03
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-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium?

The IUPAC name of 3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium (CID 157253476) is 3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium.

What is the SMILES notation for 3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium?

The canonical SMILES for 3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium is CC[n+]1c(C)n(C)c2cc(C)nc(C)c21.CC[n+]1c(C)n(C)c2ccnc(C)c21.CCn1c(C)[n+](C)c2c(C)c(C)nc(C)c21.CCn1c(C)[n+](C)c2c(C)c(C)ncc21.CCn1c(C)[n+](C)c2c(C)cnc(C)c21.

What is the InChIKey of 3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium?

The InChIKey is QJWMSOSICGXLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N3.3C12H18N3.C11H16N3/c1-7-16-11(5)15(6)12-8(2)9(3)14-10(4)13(12)16;1-6-15-10(4)14(5)12-8(2)9(3)13-7-11(12)15;1-6-15-10(4)14(5)11-8(2)7-13-9(3)12(11)15;1-6-15-10(4)14(5)11-7-8(2)13-9(3)12(11)15;1-5-14-9(3)13(4)10-6-7-12-8(2)11(10)14/h7H2,1-6H3;3*7H,6H2,1-5H3;6-7H,5H2,1-4H3/q5*+1.

What are the key properties of 3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium?

3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium has a molecular weight of 1021.48 g/mol, XLogP of 9.03, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-1,2,4,6,7-pentamethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4,6-tetramethylimidazo[4,5-c]pyridin-3-ium;3-ethyl-1,2,4,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,6,7-tetramethylimidazo[4,5-c]pyridin-1-ium;3-ethyl-1,2,4-trimethylimidazo[4,5-c]pyridin-3-ium is sourced from PubChem (CID 157253476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).