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

C34H35N3O6 — CID 130274447

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

[7-[4-methyl-2-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate (PubChem CID 130274447) has the molecular formula C34H35N3O6 and a molecular weight of 581.67 g/mol. Its IUPAC name is [7-[4-methyl-2-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate.

Molecular Properties

• Compound Name: [7-[4-methyl-2-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate
• PubChem CID: 130274447
• Molecular Formula: C34H35N3O6
• Molecular Weight: 581.67 g/mol
• Exact Mass: 581.25
• IUPAC Name: [7-[4-methyl-2-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate
• SMILES: Cc1ccnc(OCCN2CCOCC2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(OC(=O)O)[nH]c12
• InChI: InChI=1S/C34H35N3O6/c1-23-14-15-35-33(42-22-18-37-16-20-40-21-17-37)30(23)28-11-5-10-26-27(32(36-31(26)28)43-34(38)39)12-6-19-41-29-13-4-8-24-7-2-3-9-25(24)29/h2-5,7-11,13-15,36H,6,12,16-22H2,1H3,(H,38,39)
• InChIKey: IEMZMVYWPIEYER-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 106.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.67
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-morpholin-4-ylethoxy)-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate?

The IUPAC name of [7-[4-methyl-2-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate (CID 130274447) is [7-[4-methyl-2-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate.

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

The canonical SMILES for [7-[4-methyl-2-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate is Cc1ccnc(OCCN2CCOCC2)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(OC(=O)O)[nH]c12.

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

The InChIKey is IEMZMVYWPIEYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O6/c1-23-14-15-35-33(42-22-18-37-16-20-40-21-17-37)30(23)28-11-5-10-26-27(32(36-31(26)28)43-34(38)39)12-6-19-41-29-13-4-8-24-7-2-3-9-25(24)29/h2-5,7-11,13-15,36H,6,12,16-22H2,1H3,(H,38,39).

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

[7-[4-methyl-2-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate has a molecular weight of 581.67 g/mol, XLogP of 6.47, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[4-methyl-2-(2-morpholin-4-ylethoxy)-3-pyridinyl]-3-(3-naphthalen-1-yloxypropyl)-1H-indol-2-yl] hydrogen carbonate is sourced from PubChem (CID 130274447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).