5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C19H26F3N5O6S — CID 146071879

About 5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 146071879) has the molecular formula C19H26F3N5O6S and a molecular weight of 509.51 g/mol. Its IUPAC name is 5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 146071879
• Molecular Formula: C19H26F3N5O6S
• Molecular Weight: 509.51 g/mol
• Exact Mass: 509.16
• IUPAC Name: 5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
• SMILES: CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)CC)cc1C(=O)O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H25N5O4S.C2HF3O2/c1-5-7-22-14(8-12(3)19-22)11-21(4)16-15(17(23)24)9-13(10-18-16)20-27(25,26)6-2;3-2(4,5)1(6)7/h8-10,20H,5-7,11H2,1-4H3,(H,23,24);(H,6,7)
• InChIKey: YGIYLSJWMVWRMR-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 154.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.51
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 146071879) is 5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)CC)cc1C(=O)O.O=C(O)C(F)(F)F.

What is the InChIKey of 5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

The InChIKey is YGIYLSJWMVWRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S.C2HF3O2/c1-5-7-22-14(8-12(3)19-22)11-21(4)16-15(17(23)24)9-13(10-18-16)20-27(25,26)6-2;3-2(4,5)1(6)7/h8-10,20H,5-7,11H2,1-4H3,(H,23,24);(H,6,7).

What are the key properties of 5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?

5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 509.51 g/mol, XLogP of 2.73, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(ethylsulfonylamino)-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146071879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).