4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide

C17H16F3N5O2S — CID 19281625

About 4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide

4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19281625) has the molecular formula C17H16F3N5O2S and a molecular weight of 411.41 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19281625
• Molecular Formula: C17H16F3N5O2S
• Molecular Weight: 411.41 g/mol
• Exact Mass: 411.10
• IUPAC Name: 4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1nn(C)c(C)c1C(=O)Nc1c(C(N)=O)sc2nc(C(F)(F)F)cc(C)c12
• InChI: InChI=1S/C17H16F3N5O2S/c1-6-5-9(17(18,19)20)22-16-10(6)12(13(28-16)14(21)26)23-15(27)11-7(2)24-25(4)8(11)3/h5H,1-4H3,(H2,21,26)(H,23,27)
• InChIKey: BIQGXGKBJRZPHY-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 102.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.41
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19281625) is 4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1c(C(N)=O)sc2nc(C(F)(F)F)cc(C)c12.

What is the InChIKey of 4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is BIQGXGKBJRZPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2S/c1-6-5-9(17(18,19)20)22-16-10(6)12(13(28-16)14(21)26)23-15(27)11-7(2)24-25(4)8(11)3/h5H,1-4H3,(H2,21,26)(H,23,27).

What are the key properties of 4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide?

4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-6-(trifluoromethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19281625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).