4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid

C11H12BrN5O2 — CID 87383524

IUPAC4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ncc(Br)n3ccnc23)CC1
InChIInChI=1S/C11H12BrN5O2/c12-8-7-14-9(10-13-1-2-17(8)10)15-3-5-16(6-4-15)11(18)19/h1-2,7H,3-6H2,(H,18,19)
InChIKeyUJDIWLXUEYOWHA-UHFFFAOYSA-N
MW326.15 g/mol
LogP1.29
Rot. Bonds1

About 4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid

4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid (PubChem CID 87383524) has the molecular formula C11H12BrN5O2 and a molecular weight of 326.15 g/mol. Its IUPAC name is 4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid
PubChem CID87383524
Molecular FormulaC11H12BrN5O2
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ncc(Br)n3ccnc23)CC1
InChIInChI=1S/C11H12BrN5O2/c12-8-7-14-9(10-13-1-2-17(8)10)15-3-5-16(6-4-15)11(18)19/h1-2,7H,3-6H2,(H,18,19)
InChIKeyUJDIWLXUEYOWHA-UHFFFAOYSA-N
XLogP1.29
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid (CID 87383524) is 4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ncc(Br)n3ccnc23)CC1.
What is the InChIKey of 4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid?
The InChIKey is UJDIWLXUEYOWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2/c12-8-7-14-9(10-13-1-2-17(8)10)15-3-5-16(6-4-15)11(18)19/h1-2,7H,3-6H2,(H,18,19).
What are the key properties of 4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid?
4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid has a molecular weight of 326.15 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 87383524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).