2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide

C36H48N6O10 — CID 58741117

About 2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide

2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 58741117) has the molecular formula C36H48N6O10 and a molecular weight of 724.81 g/mol. Its IUPAC name is 2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
• PubChem CID: 58741117
• Molecular Formula: C36H48N6O10
• Molecular Weight: 724.81 g/mol
• Exact Mass: 724.34
• IUPAC Name: 2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
• SMILES: CCCOCCOCCOCCOCCOCCNC(=O)COc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)NN4CCOCC4)cccc2-3)cc1
• InChI: InChI=1S/C36H48N6O10/c1-2-13-46-17-19-49-21-23-51-24-22-50-20-18-47-14-10-37-30(43)25-52-27-8-6-26(7-9-27)33-32-34(40-39-33)28-4-3-5-29(31(28)35(32)44)38-36(45)41-42-11-15-48-16-12-42/h3-9H,2,10-25H2,1H3,(H,37,43)(H,39,40)(H2,38,41,45)
• InChIKey: PRDSBPZOAKJISX-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 183.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.81
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The IUPAC name of 2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 58741117) is 2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide.

What is the SMILES notation for 2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The canonical SMILES for 2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide is CCCOCCOCCOCCOCCOCCNC(=O)COc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)NN4CCOCC4)cccc2-3)cc1.

What is the InChIKey of 2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The InChIKey is PRDSBPZOAKJISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N6O10/c1-2-13-46-17-19-49-21-23-51-24-22-50-20-18-47-14-10-37-30(43)25-52-27-8-6-26(7-9-27)33-32-34(40-39-33)28-4-3-5-29(31(28)35(32)44)38-36(45)41-42-11-15-48-16-12-42/h3-9H,2,10-25H2,1H3,(H,37,43)(H,39,40)(H2,38,41,45).

What are the key properties of 2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide?

2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 724.81 g/mol, XLogP of 2.64, 23 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 58741117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).