6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide

C22H18F5N5O2S2 — CID 19563767

About 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19563767) has the molecular formula C22H18F5N5O2S2 and a molecular weight of 543.54 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19563767
• Molecular Formula: C22H18F5N5O2S2
• Molecular Weight: 543.54 g/mol
• Exact Mass: 543.08
• IUPAC Name: 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)CCn4nc(C(F)(F)F)cc4C)c23)s1
• InChI: InChI=1S/C22H18F5N5O2S2/c1-9-7-14(22(25,26)27)31-32(9)6-5-15(33)30-17-16-11(13-4-3-10(2)35-13)8-12(19(23)24)29-21(16)36-18(17)20(28)34/h3-4,7-8,19H,5-6H2,1-2H3,(H2,28,34)(H,30,33)
• InChIKey: RZVUSIVAXVYDQJ-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 102.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.54
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide (CID 19563767) is 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)CCn4nc(C(F)(F)F)cc4C)c23)s1.

What is the InChIKey of 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is RZVUSIVAXVYDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F5N5O2S2/c1-9-7-14(22(25,26)27)31-32(9)6-5-15(33)30-17-16-11(13-4-3-10(2)35-13)8-12(19(23)24)29-21(16)36-18(17)20(28)34/h3-4,7-8,19H,5-6H2,1-2H3,(H2,28,34)(H,30,33).

What are the key properties of 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide?

6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 543.54 g/mol, XLogP of 5.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19563767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).