2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C22H26ClN5O3 — CID 165016879

About 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 165016879) has the molecular formula C22H26ClN5O3 and a molecular weight of 443.94 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 165016879
• Molecular Formula: C22H26ClN5O3
• Molecular Weight: 443.94 g/mol
• Exact Mass: 443.17
• IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: Cc1cc(OCC(=O)NC23CC(Nc4cncc(N5CCOCC5)n4)(C2)C3)ccc1Cl
• InChI: InChI=1S/C22H26ClN5O3/c1-15-8-16(2-3-17(15)23)31-11-20(29)27-22-12-21(13-22,14-22)26-18-9-24-10-19(25-18)28-4-6-30-7-5-28/h2-3,8-10H,4-7,11-14H2,1H3,(H,25,26)(H,27,29)
• InChIKey: HLFOSRJKFDLKBX-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 88.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.94
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 165016879) is 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1cc(OCC(=O)NC23CC(Nc4cncc(N5CCOCC5)n4)(C2)C3)ccc1Cl.

What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is HLFOSRJKFDLKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O3/c1-15-8-16(2-3-17(15)23)31-11-20(29)27-22-12-21(13-22,14-22)26-18-9-24-10-19(25-18)28-4-6-30-7-5-28/h2-3,8-10H,4-7,11-14H2,1H3,(H,25,26)(H,27,29).

What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?

2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 443.94 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 165016879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).