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

C16H14F3N5O3S — CID 19270867

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

3-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19270867) has the molecular formula C16H14F3N5O3S and a molecular weight of 413.38 g/mol. Its IUPAC name is 3-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19270867
• Molecular Formula: C16H14F3N5O3S
• Molecular Weight: 413.38 g/mol
• Exact Mass: 413.08
• IUPAC Name: 3-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: COCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(C)c23)n1
• InChI: InChI=1S/C16H14F3N5O3S/c1-7-5-9(16(17,18)19)21-15-10(7)11(12(28-15)13(20)25)22-14(26)8-3-4-24(23-8)6-27-2/h3-5H,6H2,1-2H3,(H2,20,25)(H,22,26)
• InChIKey: RGLXSQUENYZYPG-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 112.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.38
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19270867) is 3-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is COCn1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)(F)F)cc(C)c23)n1.

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

The InChIKey is RGLXSQUENYZYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O3S/c1-7-5-9(16(17,18)19)21-15-10(7)11(12(28-15)13(20)25)22-14(26)8-3-4-24(23-8)6-27-2/h3-5H,6H2,1-2H3,(H2,20,25)(H,22,26).

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

3-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 413.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19270867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).