1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C17H13F3N6O2 — CID 134610145

About 1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 134610145) has the molecular formula C17H13F3N6O2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
• PubChem CID: 134610145
• Molecular Formula: C17H13F3N6O2
• Molecular Weight: 390.33 g/mol
• Exact Mass: 390.11
• IUPAC Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
• SMILES: Cc1ccc(C)n1-c1nc2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2n1
• InChI: InChI=1S/C17H13F3N6O2/c1-9-6-7-10(2)24(9)16-22-12-4-3-5-13(25(12)23-16)26-14(17(18,19)20)11(8-21-26)15(27)28/h3-8H,1-2H3,(H,27,28)
• InChIKey: ZDCXEAFOJSGEOT-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 90.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.33
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?

The IUPAC name of 1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 134610145) is 1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

What is the SMILES notation for 1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?

The canonical SMILES for 1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is Cc1ccc(C)n1-c1nc2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2n1.

What is the InChIKey of 1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?

The InChIKey is ZDCXEAFOJSGEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2/c1-9-6-7-10(2)24(9)16-22-12-4-3-5-13(25(12)23-16)26-14(17(18,19)20)11(8-21-26)15(27)28/h3-8H,1-2H3,(H,27,28).

What are the key properties of 1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?

1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 390.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 134610145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).