2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide

C30H36N4O3 — CID 67268443

About 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide

2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide (PubChem CID 67268443) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide
• PubChem CID: 67268443
• Molecular Formula: C30H36N4O3
• Molecular Weight: 500.64 g/mol
• Exact Mass: 500.28
• IUPAC Name: 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide
• SMILES: CCC(=O)CCCCCC(NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1cc(-c2ccccc2)n[nH]1
• InChI: InChI=1S/C30H36N4O3/c1-4-22(35)13-9-6-10-14-27(29-19-28(33-34-29)21-11-7-5-8-12-21)32-30(36)18-24-20(2)31-26-16-15-23(37-3)17-25(24)26/h5,7-8,11-12,15-17,19,27,31H,4,6,9-10,13-14,18H2,1-3H3,(H,32,36)(H,33,34)
• InChIKey: AETGJBJQWNVJPS-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 99.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.64
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide?

The IUPAC name of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide (CID 67268443) is 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide.

What is the SMILES notation for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide?

The canonical SMILES for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide is CCC(=O)CCCCCC(NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1cc(-c2ccccc2)n[nH]1.

What is the InChIKey of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide?

The InChIKey is AETGJBJQWNVJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-4-22(35)13-9-6-10-14-27(29-19-28(33-34-29)21-11-7-5-8-12-21)32-30(36)18-24-20(2)31-26-16-15-23(37-3)17-25(24)26/h5,7-8,11-12,15-17,19,27,31H,4,6,9-10,13-14,18H2,1-3H3,(H,32,36)(H,33,34).

What are the key properties of 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide?

2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide has a molecular weight of 500.64 g/mol, XLogP of 6.20, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[7-oxo-1-(3-phenyl-1H-pyrazol-5-yl)nonyl]acetamide is sourced from PubChem (CID 67268443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).