2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide

C27H24F3N5O2 — CID 134504954

About 2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide

2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide (PubChem CID 134504954) has the molecular formula C27H24F3N5O2 and a molecular weight of 507.52 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide
• PubChem CID: 134504954
• Molecular Formula: C27H24F3N5O2
• Molecular Weight: 507.52 g/mol
• Exact Mass: 507.19
• IUPAC Name: 2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide
• SMILES: Cc1ccc(-c2cnc3cnc(-c4ccc(C(=O)N5CCC(NC(=O)C(F)(F)F)CC5)cc4)cn23)cc1
• InChI: InChI=1S/C27H24F3N5O2/c1-17-2-4-19(5-3-17)23-14-32-24-15-31-22(16-35(23)24)18-6-8-20(9-7-18)25(36)34-12-10-21(11-13-34)33-26(37)27(28,29)30/h2-9,14-16,21H,10-13H2,1H3,(H,33,37)
• InChIKey: VMRBNNIBCKDNDY-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.52
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide (CID 134504954) is 2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide is Cc1ccc(-c2cnc3cnc(-c4ccc(C(=O)N5CCC(NC(=O)C(F)(F)F)CC5)cc4)cn23)cc1.

What is the InChIKey of 2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide?

The InChIKey is VMRBNNIBCKDNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O2/c1-17-2-4-19(5-3-17)23-14-32-24-15-31-22(16-35(23)24)18-6-8-20(9-7-18)25(36)34-12-10-21(11-13-34)33-26(37)27(28,29)30/h2-9,14-16,21H,10-13H2,1H3,(H,33,37).

What are the key properties of 2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide?

2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide has a molecular weight of 507.52 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[1-[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134504954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).