2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine

C23H23N2O+ — CID 159971325

About 2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine

2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 159971325) has the molecular formula C23H23N2O+ and a molecular weight of 343.45 g/mol. Its IUPAC name is 2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 159971325
• Molecular Formula: C23H23N2O+
• Molecular Weight: 343.45 g/mol
• Exact Mass: 343.18
• IUPAC Name: 2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3ccc4c([n+]3C)CCC4)c(C)cc(C)c12
• InChI: InChI=1S/C23H23N2O/c1-13-12-14(2)21(19-11-9-16-6-5-7-18(16)25(19)4)22-20(13)17-10-8-15(3)24-23(17)26-22/h8-12H,5-7H2,1-4H3/q+1
• InChIKey: DHBNXWSHRGMDKX-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 29.91 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.45
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 159971325) is 2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3ccc4c([n+]3C)CCC4)c(C)cc(C)c12.

What is the InChIKey of 2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?

The InChIKey is DHBNXWSHRGMDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N2O/c1-13-12-14(2)21(19-11-9-16-6-5-7-18(16)25(19)4)22-20(13)17-10-8-15(3)24-23(17)26-22/h8-12H,5-7H2,1-4H3/q+1.

What are the key properties of 2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine?

2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 343.45 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5,7-trimethyl-8-(1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159971325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).