6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid

C11H11FN4O2 — CID 138663427

IUPAC6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(N3CCC(F)C3)ncc2n1
InChIInChI=1S/C11H11FN4O2/c12-7-1-2-15(4-7)10-6-16-5-8(11(17)18)14-9(16)3-13-10/h3,5-7H,1-2,4H2,(H,17,18)
InChIKeyCEBQKRHJXWGIPT-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.98
Rot. Bonds2

About 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid

6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 138663427) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID138663427
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(N3CCC(F)C3)ncc2n1
InChIInChI=1S/C11H11FN4O2/c12-7-1-2-15(4-7)10-6-16-5-8(11(17)18)14-9(16)3-13-10/h3,5-7H,1-2,4H2,(H,17,18)
InChIKeyCEBQKRHJXWGIPT-UHFFFAOYSA-N
XLogP0.98
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid (CID 138663427) is 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid is O=C(O)c1cn2cc(N3CCC(F)C3)ncc2n1.
What is the InChIKey of 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is CEBQKRHJXWGIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-7-1-2-15(4-7)10-6-16-5-8(11(17)18)14-9(16)3-13-10/h3,5-7H,1-2,4H2,(H,17,18).
What are the key properties of 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 138663427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).