2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid

C17H14FN3O2S — CID 70659716

IUPAC2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2s1
InChIInChI=1S/C17H14FN3O2S/c18-11-5-3-10(4-6-11)14-15(21-7-1-2-8-21)20-16-12(19-14)9-13(24-16)17(22)23/h3-6,9H,1-2,7-8H2,(H,22,23)
InChIKeyAIBAZWUWYPOAJG-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.80
Rot. Bonds3

About 2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid

2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 70659716) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid
PubChem CID70659716
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2s1
InChIInChI=1S/C17H14FN3O2S/c18-11-5-3-10(4-6-11)14-15(21-7-1-2-8-21)20-16-12(19-14)9-13(24-16)17(22)23/h3-6,9H,1-2,7-8H2,(H,22,23)
InChIKeyAIBAZWUWYPOAJG-UHFFFAOYSA-N
XLogP3.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid (CID 70659716) is 2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2s1.
What is the InChIKey of 2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is AIBAZWUWYPOAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-11-5-3-10(4-6-11)14-15(21-7-1-2-8-21)20-16-12(19-14)9-13(24-16)17(22)23/h3-6,9H,1-2,7-8H2,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid?
2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-pyrrolidin-1-ylthieno[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 70659716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).