3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid

C12H16N2O4 — CID 117249927

IUPAC3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
SMILESCC(C)c1nc(C(=O)O)c2n1CCCC2C(=O)O
InChIInChI=1S/C12H16N2O4/c1-6(2)10-13-8(12(17)18)9-7(11(15)16)4-3-5-14(9)10/h6-7H,3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAICXFZOWCGVITQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.67
Rot. Bonds3

About 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid

3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid (PubChem CID 117249927) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
PubChem CID117249927
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
SMILESCC(C)c1nc(C(=O)O)c2n1CCCC2C(=O)O
InChIInChI=1S/C12H16N2O4/c1-6(2)10-13-8(12(17)18)9-7(11(15)16)4-3-5-14(9)10/h6-7H,3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAICXFZOWCGVITQ-UHFFFAOYSA-N
XLogP1.67
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The IUPAC name of 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid (CID 117249927) is 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid.
What is the SMILES notation for 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The canonical SMILES for 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid is CC(C)c1nc(C(=O)O)c2n1CCCC2C(=O)O.
What is the InChIKey of 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The InChIKey is AICXFZOWCGVITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-6(2)10-13-8(12(17)18)9-7(11(15)16)4-3-5-14(9)10/h6-7H,3-5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,8-dicarboxylic acid is sourced from PubChem (CID 117249927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).