[7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate

C34H33N3O6 — CID 130273860

About [7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate

[7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate (PubChem CID 130273860) has the molecular formula C34H33N3O6 and a molecular weight of 579.65 g/mol. Its IUPAC name is [7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate.

Molecular Properties

• Compound Name: [7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate
• PubChem CID: 130273860
• Molecular Formula: C34H33N3O6
• Molecular Weight: 579.65 g/mol
• Exact Mass: 579.24
• IUPAC Name: [7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate
• SMILES: Cc1ccnc(OCCN2CCCC2=O)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(OC(=O)O)[nH]c12
• InChI: InChI=1S/C34H33N3O6/c1-22-16-17-35-33(42-21-19-37-18-6-15-29(37)38)30(22)27-12-5-11-25-26(32(36-31(25)27)43-34(39)40)13-7-20-41-28-14-4-9-23-8-2-3-10-24(23)28/h2-5,8-12,14,16-17,36H,6-7,13,15,18-21H2,1H3,(H,39,40)
• InChIKey: GOVVFHWMZDXDDM-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 113.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.65
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate?

The IUPAC name of [7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate (CID 130273860) is [7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate.

What is the SMILES notation for [7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate?

The canonical SMILES for [7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate is Cc1ccnc(OCCN2CCCC2=O)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(OC(=O)O)[nH]c12.

What is the InChIKey of [7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate?

The InChIKey is GOVVFHWMZDXDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O6/c1-22-16-17-35-33(42-21-19-37-18-6-15-29(37)38)30(22)27-12-5-11-25-26(32(36-31(25)27)43-34(39)40)13-7-20-41-28-14-4-9-23-8-2-3-10-24(23)28/h2-5,8-12,14,16-17,36H,6-7,13,15,18-21H2,1H3,(H,39,40).

What are the key properties of [7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate?

[7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate has a molecular weight of 579.65 g/mol, XLogP of 6.76, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate is sourced from PubChem (CID 130273860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).