1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole

C26H30N4O2 — CID 158382631

About 1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole

1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole (PubChem CID 158382631) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
• PubChem CID: 158382631
• Molecular Formula: C26H30N4O2
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.24
• IUPAC Name: 1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
• SMILES: CCc1cc(-c2nccc3[nH]c4cc(OCCCN5CCCC5)c(OC)cc4c23)ccn1
• InChI: InChI=1S/C26H30N4O2/c1-3-19-15-18(7-9-27-19)26-25-20-16-23(31-2)24(17-22(20)29-21(25)8-10-28-26)32-14-6-13-30-11-4-5-12-30/h7-10,15-17,29H,3-6,11-14H2,1-2H3
• InChIKey: GVZDLVYCOVZGDK-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 63.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole?

The IUPAC name of 1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole (CID 158382631) is 1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole.

What is the SMILES notation for 1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole?

The canonical SMILES for 1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole is CCc1cc(-c2nccc3[nH]c4cc(OCCCN5CCCC5)c(OC)cc4c23)ccn1.

What is the InChIKey of 1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole?

The InChIKey is GVZDLVYCOVZGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-3-19-15-18(7-9-27-19)26-25-20-16-23(31-2)24(17-22(20)29-21(25)8-10-28-26)32-14-6-13-30-11-4-5-12-30/h7-10,15-17,29H,3-6,11-14H2,1-2H3.

What are the key properties of 1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole?

1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole has a molecular weight of 430.55 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 158382631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).