5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C26H32F3N5O6S — CID 146054874

About 5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 146054874) has the molecular formula C26H32F3N5O6S and a molecular weight of 599.63 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 146054874
• Molecular Formula: C26H32F3N5O6S
• Molecular Weight: 599.63 g/mol
• Exact Mass: 599.20
• IUPAC Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
• SMILES: CCn1nc(C)c(CCN(C)c2ncc(NS(=O)(=O)c3cc(C)ccc3C)cc2C(=O)O)c1C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H31N5O4S.C2HF3O2/c1-7-29-18(5)20(17(4)26-29)10-11-28(6)23-21(24(30)31)13-19(14-25-23)27-34(32,33)22-12-15(2)8-9-16(22)3;3-2(4,5)1(6)7/h8-9,12-14,27H,7,10-11H2,1-6H3,(H,30,31);(H,6,7)
• InChIKey: RCGAOUPYZZRSPZ-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 154.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.63
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 146054874) is 5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is CCn1nc(C)c(CCN(C)c2ncc(NS(=O)(=O)c3cc(C)ccc3C)cc2C(=O)O)c1C.O=C(O)C(F)(F)F.

What is the InChIKey of 5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The InChIKey is RCGAOUPYZZRSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4S.C2HF3O2/c1-7-29-18(5)20(17(4)26-29)10-11-28(6)23-21(24(30)31)13-19(14-25-23)27-34(32,33)22-12-15(2)8-9-16(22)3;3-2(4,5)1(6)7/h8-9,12-14,27H,7,10-11H2,1-6H3,(H,30,31);(H,6,7).

What are the key properties of 5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 599.63 g/mol, XLogP of 4.34, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,5-dimethylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146054874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).