7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid

C27H31N3O8 — CID 151565462

About 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid

7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid (PubChem CID 151565462) has the molecular formula C27H31N3O8 and a molecular weight of 525.56 g/mol. Its IUPAC name is 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid.

Molecular Properties

• Compound Name: 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid
• PubChem CID: 151565462
• Molecular Formula: C27H31N3O8
• Molecular Weight: 525.56 g/mol
• Exact Mass: 525.21
• IUPAC Name: 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid
• SMILES: O=C(O)n1c2ccncc2c2ccc(-c3ccc(OCCOCCOCCOCCOCCO)nc3)cc21
• InChI: InChI=1S/C27H31N3O8/c31-7-8-34-9-10-35-11-12-36-13-14-37-15-16-38-26-4-2-21(18-29-26)20-1-3-22-23-19-28-6-5-24(23)30(27(32)33)25(22)17-20/h1-6,17-19,31H,7-16H2,(H,32,33)
• InChIKey: QDILGBYNDHJDAJ-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 134.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.56
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid?

The IUPAC name of 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid (CID 151565462) is 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid.

What is the SMILES notation for 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid?

The canonical SMILES for 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid is O=C(O)n1c2ccncc2c2ccc(-c3ccc(OCCOCCOCCOCCOCCO)nc3)cc21.

What is the InChIKey of 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid?

The InChIKey is QDILGBYNDHJDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O8/c31-7-8-34-9-10-35-11-12-36-13-14-37-15-16-38-26-4-2-21(18-29-26)20-1-3-22-23-19-28-6-5-24(23)30(27(32)33)25(22)17-20/h1-6,17-19,31H,7-16H2,(H,32,33).

What are the key properties of 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid?

7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid has a molecular weight of 525.56 g/mol, XLogP of 3.22, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]pyrido[4,3-b]indole-5-carboxylic acid is sourced from PubChem (CID 151565462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).