2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium

C84H69N9O4+4 — CID 157284755

About 2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium

2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium (PubChem CID 157284755) has the molecular formula C84H69N9O4+4 and a molecular weight of 1268.53 g/mol. Its IUPAC name is 2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium.

Molecular Properties

• Compound Name: 2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium
• PubChem CID: 157284755
• Molecular Formula: C84H69N9O4+4
• Molecular Weight: 1268.53 g/mol
• Exact Mass: 1267.55
• IUPAC Name: 2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium
• SMILES: Cc1ccc2c(n1)oc1c(-c3cc4ccccn4[n+]3C)c(C)ccc12.Cc1ccc2c(oc3ccccc32)c1-c1c2ccccn2c[n+]1C.Cc1ccc2c(oc3ccccc32)c1-c1cccn2cc[n+](C)c12.Cc1ccc2c(oc3ccccc32)c1-c1ccn2ccc[n+](C)c12
• InChI: InChI=1S/C21H18N3O.3C21H17N2O/c1-13-7-9-16-17-10-8-14(2)22-21(17)25-20(16)19(13)18-12-15-6-4-5-11-24(15)23(18)3;1-14-10-11-16-15-7-3-4-9-18(15)24-21(16)19(14)20-17-8-5-6-12-23(17)13-22(20)2;1-14-9-10-16-15-6-3-4-8-18(15)24-20(16)19(14)17-7-5-11-23-13-12-22(2)21(17)23;1-14-8-9-16-15-6-3-4-7-18(15)24-20(16)19(14)17-10-13-23-12-5-11-22(2)21(17)23/h4-12H,1-3H3;3*3-13H,1-2H3/q4*+1
• InChIKey: JQHYKELZGNVJKT-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 98.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1268.53
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium?

The IUPAC name of 2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium (CID 157284755) is 2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium.

What is the SMILES notation for 2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium?

The canonical SMILES for 2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium is Cc1ccc2c(n1)oc1c(-c3cc4ccccn4[n+]3C)c(C)ccc12.Cc1ccc2c(oc3ccccc32)c1-c1c2ccccn2c[n+]1C.Cc1ccc2c(oc3ccccc32)c1-c1cccn2cc[n+](C)c12.Cc1ccc2c(oc3ccccc32)c1-c1ccn2ccc[n+](C)c12.

What is the InChIKey of 2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium?

The InChIKey is JQHYKELZGNVJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N3O.3C21H17N2O/c1-13-7-9-16-17-10-8-14(2)22-21(17)25-20(16)19(13)18-12-15-6-4-5-11-24(15)23(18)3;1-14-10-11-16-15-7-3-4-9-18(15)24-21(16)19(14)20-17-8-5-6-12-23(17)13-22(20)2;1-14-9-10-16-15-6-3-4-8-18(15)24-20(16)19(14)17-7-5-11-23-13-12-22(2)21(17)23;1-14-8-9-16-15-6-3-4-7-18(15)24-20(16)19(14)17-10-13-23-12-5-11-22(2)21(17)23/h4-12H,1-3H3;3*3-13H,1-2H3/q4*+1.

What are the key properties of 2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium?

2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium has a molecular weight of 1268.53 g/mol, XLogP of 18.26, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-8-(1-methylpyrazolo[1,5-a]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-8-(3-methyldibenzofuran-4-yl)imidazo[1,2-a]pyridin-1-ium;2-methyl-1-(3-methyldibenzofuran-4-yl)imidazo[1,5-a]pyridin-2-ium;1-methyl-8-(3-methyldibenzofuran-4-yl)pyrrolo[1,2-a]pyrimidin-1-ium is sourced from PubChem (CID 157284755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).