1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid

C22H15F3N4O3S — CID 22143567

About 1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid

1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid (PubChem CID 22143567) has the molecular formula C22H15F3N4O3S and a molecular weight of 472.45 g/mol. Its IUPAC name is 1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid
• PubChem CID: 22143567
• Molecular Formula: C22H15F3N4O3S
• Molecular Weight: 472.45 g/mol
• Exact Mass: 472.08
• IUPAC Name: 1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid
• SMILES: Cn1ccnc1-c1cc2nccc(Oc3ccc4c(C(=O)O)c(C(F)(F)F)n(C)c4c3)c2s1
• InChI: InChI=1S/C22H15F3N4O3S/c1-28-8-7-27-20(28)16-10-13-18(33-16)15(5-6-26-13)32-11-3-4-12-14(9-11)29(2)19(22(23,24)25)17(12)21(30)31/h3-10H,1-2H3,(H,30,31)
• InChIKey: FSPIQSSWXKZSKL-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 82.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.45
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid?

The IUPAC name of 1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid (CID 22143567) is 1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid.

What is the SMILES notation for 1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid?

The canonical SMILES for 1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid is Cn1ccnc1-c1cc2nccc(Oc3ccc4c(C(=O)O)c(C(F)(F)F)n(C)c4c3)c2s1.

What is the InChIKey of 1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid?

The InChIKey is FSPIQSSWXKZSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O3S/c1-28-8-7-27-20(28)16-10-13-18(33-16)15(5-6-26-13)32-11-3-4-12-14(9-11)29(2)19(22(23,24)25)17(12)21(30)31/h3-10H,1-2H3,(H,30,31).

What are the key properties of 1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid?

1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid has a molecular weight of 472.45 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxylic acid is sourced from PubChem (CID 22143567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).