3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid

C13H13N3O4 — CID 117251581

IUPAC3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
SMILESO=C(O)c1ccn2c(C3CCNC3)nc(C(=O)O)c2c1
InChIInChI=1S/C13H13N3O4/c17-12(18)7-2-4-16-9(5-7)10(13(19)20)15-11(16)8-1-3-14-6-8/h2,4-5,8,14H,1,3,6H2,(H,17,18)(H,19,20)
InChIKeyKVDXBNBRHHYOMF-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.81
Rot. Bonds3

About 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid

3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid (PubChem CID 117251581) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid.

Molecular Properties

Compound Name3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
PubChem CID117251581
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
SMILESO=C(O)c1ccn2c(C3CCNC3)nc(C(=O)O)c2c1
InChIInChI=1S/C13H13N3O4/c17-12(18)7-2-4-16-9(5-7)10(13(19)20)15-11(16)8-1-3-14-6-8/h2,4-5,8,14H,1,3,6H2,(H,17,18)(H,19,20)
InChIKeyKVDXBNBRHHYOMF-UHFFFAOYSA-N
XLogP0.81
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744775
1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84744774
3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254101
3-(azetidin-3-yl)-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254064
6-amino-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251036
methyl 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117252886
7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251578
methyl 7-hydroxy-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254082
6-amino-3-(azepan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253551
3-(azepan-3-yl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253553
7-hydroxy-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251690
2-pyrrolidin-3-ylpyridine-4-carboxylic acid
CID 115018963

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid?
The IUPAC name of 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid (CID 117251581) is 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid.
What is the SMILES notation for 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid?
The canonical SMILES for 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid is O=C(O)c1ccn2c(C3CCNC3)nc(C(=O)O)c2c1.
What is the InChIKey of 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid?
The InChIKey is KVDXBNBRHHYOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-12(18)7-2-4-16-9(5-7)10(13(19)20)15-11(16)8-1-3-14-6-8/h2,4-5,8,14H,1,3,6H2,(H,17,18)(H,19,20).
What are the key properties of 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid?
3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid is sourced from PubChem (CID 117251581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).