2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid

C17H9F3N4O2S — CID 59179917

IUPAC2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(C(F)(F)F)nc32)n1
InChIInChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)
InChIKeyVNWZLHBHVRUTKF-UHFFFAOYSA-N
MW390.35 g/mol
LogP4.26
Rot. Bonds3

About 2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid

2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59179917) has the molecular formula C17H9F3N4O2S and a molecular weight of 390.35 g/mol. Its IUPAC name is 2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID59179917
Molecular FormulaC17H9F3N4O2S
Molecular Weight390.35 g/mol
Exact Mass390.04
IUPAC Name2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(C(F)(F)F)nc32)n1
InChIInChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)
InChIKeyVNWZLHBHVRUTKF-UHFFFAOYSA-N
XLogP4.26
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid (CID 59179917) is 2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(C(F)(F)F)nc32)n1.
What is the InChIKey of 2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VNWZLHBHVRUTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26).
What are the key properties of 2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 390.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).