2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide

C26H32N4O2 — CID 90614552

About 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide

2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide (PubChem CID 90614552) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
• PubChem CID: 90614552
• Molecular Formula: C26H32N4O2
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.25
• IUPAC Name: 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
• SMILES: CC(C)(C)c1ccc(OCC(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1
• InChI: InChI=1S/C26H32N4O2/c1-26(2,3)19-11-13-20(14-12-19)32-18-24(31)28-16-17-30-23-10-5-4-8-21(23)25(29-30)22-9-6-7-15-27-22/h6-7,9,11-15H,4-5,8,10,16-18H2,1-3H3,(H,28,31)
• InChIKey: VJHAYFXOJKTCAU-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?

The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide (CID 90614552) is 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide.

What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?

The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide is CC(C)(C)c1ccc(OCC(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1.

What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?

The InChIKey is VJHAYFXOJKTCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-26(2,3)19-11-13-20(14-12-19)32-18-24(31)28-16-17-30-23-10-5-4-8-21(23)25(29-30)22-9-6-7-15-27-22/h6-7,9,11-15H,4-5,8,10,16-18H2,1-3H3,(H,28,31).

What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide?

2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide has a molecular weight of 432.57 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 90614552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).