5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid

C21H24FN5O4S — CID 53024971

About 5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid

5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid (PubChem CID 53024971) has the molecular formula C21H24FN5O4S and a molecular weight of 461.52 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid
• PubChem CID: 53024971
• Molecular Formula: C21H24FN5O4S
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.15
• IUPAC Name: 5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid
• SMILES: CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)O
• InChI: InChI=1S/C21H24FN5O4S/c1-4-8-27-17(9-14(2)24-27)13-26(3)20-19(21(28)29)11-16(12-23-20)25-32(30,31)18-7-5-6-15(22)10-18/h5-7,9-12,25H,4,8,13H2,1-3H3,(H,28,29)
• InChIKey: WLVJWKNUURNKAE-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 117.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid?

The IUPAC name of 5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid (CID 53024971) is 5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid is CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)O.

What is the InChIKey of 5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid?

The InChIKey is WLVJWKNUURNKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O4S/c1-4-8-27-17(9-14(2)24-27)13-26(3)20-19(21(28)29)11-16(12-23-20)25-32(30,31)18-7-5-6-15(22)10-18/h5-7,9-12,25H,4,8,13H2,1-3H3,(H,28,29).

What are the key properties of 5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid?

5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 461.52 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).