8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid

C13H14N4O2 — CID 166378478

IUPAC8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cn2ccnc(N3CCC4(CC4)C3)c2n1
InChIInChI=1S/C13H14N4O2/c18-12(19)9-7-16-6-4-14-10(11(16)15-9)17-5-3-13(8-17)1-2-13/h4,6-7H,1-3,5,8H2,(H,18,19)
InChIKeyYSIRGYZEVCOPGU-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.42
Rot. Bonds2

About 8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid

8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 166378478) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID166378478
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cn2ccnc(N3CCC4(CC4)C3)c2n1
InChIInChI=1S/C13H14N4O2/c18-12(19)9-7-16-6-4-14-10(11(16)15-9)17-5-3-13(8-17)1-2-13/h4,6-7H,1-3,5,8H2,(H,18,19)
InChIKeyYSIRGYZEVCOPGU-UHFFFAOYSA-N
XLogP1.42
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid (CID 166378478) is 8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid is O=C(O)c1cn2ccnc(N3CCC4(CC4)C3)c2n1.
What is the InChIKey of 8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is YSIRGYZEVCOPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-12(19)9-7-16-6-4-14-10(11(16)15-9)17-5-3-13(8-17)1-2-13/h4,6-7H,1-3,5,8H2,(H,18,19).
What are the key properties of 8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid?
8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166378478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).