2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide

C28H34N6O4 — CID 167271418

About 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide

2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide (PubChem CID 167271418) has the molecular formula C28H34N6O4 and a molecular weight of 518.62 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide
• PubChem CID: 167271418
• Molecular Formula: C28H34N6O4
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.26
• IUPAC Name: 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide
• SMILES: CCc1c(-c2ccc3c(cnn3CCNC(=O)COCCOCCN)c2)cnc(N)c1-c1ccc(O)cc1
• InChI: InChI=1S/C28H34N6O4/c1-2-23-24(17-32-28(30)27(23)19-3-6-22(35)7-4-19)20-5-8-25-21(15-20)16-33-34(25)11-10-31-26(36)18-38-14-13-37-12-9-29/h3-8,15-17,35H,2,9-14,18,29H2,1H3,(H2,30,32)(H,31,36)
• InChIKey: AQPJGNOYSHVGNG-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 150.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide?

The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide (CID 167271418) is 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide.

What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide?

The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide is CCc1c(-c2ccc3c(cnn3CCNC(=O)COCCOCCN)c2)cnc(N)c1-c1ccc(O)cc1.

What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide?

The InChIKey is AQPJGNOYSHVGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4/c1-2-23-24(17-32-28(30)27(23)19-3-6-22(35)7-4-19)20-5-8-25-21(15-20)16-33-34(25)11-10-31-26(36)18-38-14-13-37-12-9-29/h3-8,15-17,35H,2,9-14,18,29H2,1H3,(H2,30,32)(H,31,36).

What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide?

2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide has a molecular weight of 518.62 g/mol, XLogP of 2.72, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-aminoethoxy)ethoxy]-N-[2-[5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]indazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 167271418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).