3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid

C12H13N3O3 — CID 57436268

IUPAC3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(N2CCOCC2)n2ccccc12
InChIInChI=1S/C12H13N3O3/c16-11(17)10-9-3-1-2-4-15(9)12(13-10)14-5-7-18-8-6-14/h1-4H,5-8H2,(H,16,17)
InChIKeyULHKCHZOXWTIPT-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.87
Rot. Bonds2

About 3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid

3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 57436268) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID57436268
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(N2CCOCC2)n2ccccc12
InChIInChI=1S/C12H13N3O3/c16-11(17)10-9-3-1-2-4-15(9)12(13-10)14-5-7-18-8-6-14/h1-4H,5-8H2,(H,16,17)
InChIKeyULHKCHZOXWTIPT-UHFFFAOYSA-N
XLogP0.87
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 57436268) is 3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(N2CCOCC2)n2ccccc12.
What is the InChIKey of 3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is ULHKCHZOXWTIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-11(17)10-9-3-1-2-4-15(9)12(13-10)14-5-7-18-8-6-14/h1-4H,5-8H2,(H,16,17).
What are the key properties of 3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 57436268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).