8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid

C20H13F4N5O2 — CID 137372419

About 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid

8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 137372419) has the molecular formula C20H13F4N5O2 and a molecular weight of 431.35 g/mol. Its IUPAC name is 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

• Compound Name: 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
• PubChem CID: 137372419
• Molecular Formula: C20H13F4N5O2
• Molecular Weight: 431.35 g/mol
• Exact Mass: 431.10
• IUPAC Name: 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
• SMILES: Cc1cc(-c2c(-c3cccc(F)c3)nc(N)c3nc(C(=O)O)cn23)cc(C(F)(F)F)n1
• InChI: InChI=1S/C20H13F4N5O2/c1-9-5-11(7-14(26-9)20(22,23)24)16-15(10-3-2-4-12(21)6-10)28-17(25)18-27-13(19(30)31)8-29(16)18/h2-8H,1H3,(H2,25,28)(H,30,31)
• InChIKey: MSLMBTGFHXBZFO-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 106.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.35
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid?

The IUPAC name of 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid (CID 137372419) is 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid.

What is the SMILES notation for 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid?

The canonical SMILES for 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid is Cc1cc(-c2c(-c3cccc(F)c3)nc(N)c3nc(C(=O)O)cn23)cc(C(F)(F)F)n1.

What is the InChIKey of 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid?

The InChIKey is MSLMBTGFHXBZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O2/c1-9-5-11(7-14(26-9)20(22,23)24)16-15(10-3-2-4-12(21)6-10)28-17(25)18-27-13(19(30)31)8-29(16)18/h2-8H,1H3,(H2,25,28)(H,30,31).

What are the key properties of 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid?

8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 431.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 137372419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).