4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid

C12H14N4O2 — CID 87407286

IUPAC4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncn3ccncc23)CC1
InChIInChI=1S/C12H14N4O2/c17-12(18)15-4-1-9(2-5-15)11-10-7-13-3-6-16(10)8-14-11/h3,6-9H,1-2,4-5H2,(H,17,18)
InChIKeyLRQHGOYLATZHCO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.59
Rot. Bonds1

About 4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid

4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid (PubChem CID 87407286) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid
PubChem CID87407286
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncn3ccncc23)CC1
InChIInChI=1S/C12H14N4O2/c17-12(18)15-4-1-9(2-5-15)11-10-7-13-3-6-16(10)8-14-11/h3,6-9H,1-2,4-5H2,(H,17,18)
InChIKeyLRQHGOYLATZHCO-UHFFFAOYSA-N
XLogP1.59
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid?
The IUPAC name of 4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid (CID 87407286) is 4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid is O=C(O)N1CCC(c2ncn3ccncc23)CC1.
What is the InChIKey of 4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid?
The InChIKey is LRQHGOYLATZHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(18)15-4-1-9(2-5-15)11-10-7-13-3-6-16(10)8-14-11/h3,6-9H,1-2,4-5H2,(H,17,18).
What are the key properties of 4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid?
4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 87407286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).