2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid

C24H29FN4O5S — CID 167684275

About 2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid

2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid (PubChem CID 167684275) has the molecular formula C24H29FN4O5S and a molecular weight of 504.58 g/mol. Its IUPAC name is 2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid
• PubChem CID: 167684275
• Molecular Formula: C24H29FN4O5S
• Molecular Weight: 504.58 g/mol
• Exact Mass: 504.18
• IUPAC Name: 2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid
• SMILES: Cc1cn(C(C)(C)COc2cc(-c3cc(F)cc(C(C)C)c3CC(=O)O)ccn2)nc1S(N)(=O)=O
• InChI: InChI=1S/C24H29FN4O5S/c1-14(2)18-9-17(25)10-19(20(18)11-22(30)31)16-6-7-27-21(8-16)34-13-24(4,5)29-12-15(3)23(28-29)35(26,32)33/h6-10,12,14H,11,13H2,1-5H3,(H,30,31)(H2,26,32,33)
• InChIKey: VZKKRZBLUUCKBQ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 137.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.58
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid?

The IUPAC name of 2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid (CID 167684275) is 2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid.

What is the SMILES notation for 2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid?

The canonical SMILES for 2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid is Cc1cn(C(C)(C)COc2cc(-c3cc(F)cc(C(C)C)c3CC(=O)O)ccn2)nc1S(N)(=O)=O.

What is the InChIKey of 2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid?

The InChIKey is VZKKRZBLUUCKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O5S/c1-14(2)18-9-17(25)10-19(20(18)11-22(30)31)16-6-7-27-21(8-16)34-13-24(4,5)29-12-15(3)23(28-29)35(26,32)33/h6-10,12,14H,11,13H2,1-5H3,(H,30,31)(H2,26,32,33).

What are the key properties of 2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid?

2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid has a molecular weight of 504.58 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-fluoro-2-[2-[2-methyl-2-(4-methyl-3-sulfamoylpyrazol-1-yl)propoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid is sourced from PubChem (CID 167684275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).