2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide

C22H24FN5O3S — CID 74783822

About 2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide

2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (PubChem CID 74783822) has the molecular formula C22H24FN5O3S and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
• PubChem CID: 74783822
• Molecular Formula: C22H24FN5O3S
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.16
• IUPAC Name: 2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
• SMILES: CC(C)C1CC(=O)NC(n2nc(-c3cccs3)cc2NC(=O)COc2ccccc2F)N1
• InChI: InChI=1S/C22H24FN5O3S/c1-13(2)15-11-20(29)26-22(24-15)28-19(10-16(27-28)18-8-5-9-32-18)25-21(30)12-31-17-7-4-3-6-14(17)23/h3-10,13,15,22,24H,11-12H2,1-2H3,(H,25,30)(H,26,29)
• InChIKey: OJTJREDFILCSNJ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 97.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?

The IUPAC name of 2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (CID 74783822) is 2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.

What is the SMILES notation for 2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?

The canonical SMILES for 2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is CC(C)C1CC(=O)NC(n2nc(-c3cccs3)cc2NC(=O)COc2ccccc2F)N1.

What is the InChIKey of 2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?

The InChIKey is OJTJREDFILCSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3S/c1-13(2)15-11-20(29)26-22(24-15)28-19(10-16(27-28)18-8-5-9-32-18)25-21(30)12-31-17-7-4-3-6-14(17)23/h3-10,13,15,22,24H,11-12H2,1-2H3,(H,25,30)(H,26,29).

What are the key properties of 2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?

2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide has a molecular weight of 457.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 74783822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).