3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid

C16H8F2N4O2S — CID 66661384

IUPAC3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(-c3ccc(F)cc3F)nn(-c3cnccn3)c2s1
InChIInChI=1S/C16H8F2N4O2S/c17-8-1-2-9(11(18)5-8)14-10-6-12(16(23)24)25-15(10)22(21-14)13-7-19-3-4-20-13/h1-7H,(H,23,24)
InChIKeyOFTMBEFFEHOSRP-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.52
Rot. Bonds3

About 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid

3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 66661384) has the molecular formula C16H8F2N4O2S and a molecular weight of 358.33 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID66661384
Molecular FormulaC16H8F2N4O2S
Molecular Weight358.33 g/mol
Exact Mass358.03
IUPAC Name3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(-c3ccc(F)cc3F)nn(-c3cnccn3)c2s1
InChIInChI=1S/C16H8F2N4O2S/c17-8-1-2-9(11(18)5-8)14-10-6-12(16(23)24)25-15(10)22(21-14)13-7-19-3-4-20-13/h1-7H,(H,23,24)
InChIKeyOFTMBEFFEHOSRP-UHFFFAOYSA-N
XLogP3.52
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 66661384) is 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid is O=C(O)c1cc2c(-c3ccc(F)cc3F)nn(-c3cnccn3)c2s1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is OFTMBEFFEHOSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N4O2S/c17-8-1-2-9(11(18)5-8)14-10-6-12(16(23)24)25-15(10)22(21-14)13-7-19-3-4-20-13/h1-7H,(H,23,24).
What are the key properties of 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid?
3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 358.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 66661384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).