3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid

C₂₄H₁₅F₃N₆O₄S — CID 154957923

About 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid

3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 154957923) has the molecular formula C₂₄H₁₅F₃N₆O₄S and a molecular weight of 540.48 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

• Compound Name: 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
• PubChem CID: 154957923
• Molecular Formula: C₂₄H₁₅F₃N₆O₄S
• Molecular Weight: 540.48 g/mol
• Exact Mass: 540.08
• IUPAC Name: 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
• SMILES: Nc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc3cc(C(=O)O)ccn23)n1
• InChI: InChI=1S/C24H15F3N6O4S/c25-14-4-2-5-15(26)22(14)38(36,37)32-16-6-1-3-13(19(16)27)20-21(17-7-9-29-24(28)30-17)33-10-8-12(23(34)35)11-18(33)31-20/h1-11,32H,(H,34,35)(H2,28,29,30)
• InChIKey: LUNOUDRMPQFXOS-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 152.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.48
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?

The IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 154957923) is 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid.

What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?

The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid is Nc1nccc(-c2c(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)nc3cc(C(=O)O)ccn23)n1.

What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?

The InChIKey is LUNOUDRMPQFXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O4S/c25-14-4-2-5-15(26)22(14)38(36,37)32-16-6-1-3-13(19(16)27)20-21(17-7-9-29-24(28)30-17)33-10-8-12(23(34)35)11-18(33)31-20/h1-11,32H,(H,34,35)(H2,28,29,30).

What are the key properties of 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?

3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 540.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-aminopyrimidin-4-yl)-2-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 154957923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154957923 — identifiers, structure, computed properties (public domain)

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