6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid

C11H10FN3O2 — CID 164593993

IUPAC6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid
SMILESC/C=C(\F)Cc1cn2cnc(C(=O)O)c2cn1
InChIInChI=1S/C11H10FN3O2/c1-2-7(12)3-8-5-15-6-14-10(11(16)17)9(15)4-13-8/h2,4-6H,3H2,1H3,(H,16,17)/b7-2-
InChIKeyFRKHKUFOVSNOCS-UQCOIBPSSA-N
MW235.22 g/mol
LogP1.84
Rot. Bonds3

About 6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid

6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid (PubChem CID 164593993) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid.

Molecular Properties

Compound Name6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid
PubChem CID164593993
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid
SMILESC/C=C(\F)Cc1cn2cnc(C(=O)O)c2cn1
InChIInChI=1S/C11H10FN3O2/c1-2-7(12)3-8-5-15-6-14-10(11(16)17)9(15)4-13-8/h2,4-6H,3H2,1H3,(H,16,17)/b7-2-
InChIKeyFRKHKUFOVSNOCS-UQCOIBPSSA-N
XLogP1.84
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid?
The IUPAC name of 6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid (CID 164593993) is 6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid.
What is the SMILES notation for 6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid?
The canonical SMILES for 6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid is C/C=C(\F)Cc1cn2cnc(C(=O)O)c2cn1.
What is the InChIKey of 6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid?
The InChIKey is FRKHKUFOVSNOCS-UQCOIBPSSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-2-7(12)3-8-5-15-6-14-10(11(16)17)9(15)4-13-8/h2,4-6H,3H2,1H3,(H,16,17)/b7-2-.
What are the key properties of 6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid?
6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid has a molecular weight of 235.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-fluorobut-2-enyl]imidazo[1,5-a]pyrazine-1-carboxylic acid is sourced from PubChem (CID 164593993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).