2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide

C20H14ClF3N6O2 — CID 164834368

About 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide

2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 164834368) has the molecular formula C20H14ClF3N6O2 and a molecular weight of 462.82 g/mol. Its IUPAC name is 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide
• PubChem CID: 164834368
• Molecular Formula: C20H14ClF3N6O2
• Molecular Weight: 462.82 g/mol
• Exact Mass: 462.08
• IUPAC Name: 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide
• SMILES: Cc1cnc(NC(=O)C(Cl)Oc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F
• InChI: InChI=1S/C20H14ClF3N6O2/c1-11-7-26-15(6-13(11)20(22,23)24)29-19(31)18(21)32-17-3-2-12(8-28-17)14-9-27-16-10-25-4-5-30(14)16/h2-10,18H,1H3,(H,26,29,31)
• InChIKey: BAQKVTNDNLTHBC-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.82
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide?

The IUPAC name of 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 164834368) is 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide.

What is the SMILES notation for 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide?

The canonical SMILES for 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide is Cc1cnc(NC(=O)C(Cl)Oc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F.

What is the InChIKey of 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide?

The InChIKey is BAQKVTNDNLTHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N6O2/c1-11-7-26-15(6-13(11)20(22,23)24)29-19(31)18(21)32-17-3-2-12(8-28-17)14-9-27-16-10-25-4-5-30(14)16/h2-10,18H,1H3,(H,26,29,31).

What are the key properties of 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide?

2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 462.82 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 164834368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).