8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C10H11N3O4S — CID 117255613

IUPAC8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCS(=O)(=O)Cc1nc(C(=O)O)c2c(N)cccn12
InChIInChI=1S/C10H11N3O4S/c1-18(16,17)5-7-12-8(10(14)15)9-6(11)3-2-4-13(7)9/h2-4H,5,11H2,1H3,(H,14,15)
InChIKeyXRXAIPZFCZCRLT-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.16
Rot. Bonds3

About 8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255613) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255613
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCS(=O)(=O)Cc1nc(C(=O)O)c2c(N)cccn12
InChIInChI=1S/C10H11N3O4S/c1-18(16,17)5-7-12-8(10(14)15)9-6(11)3-2-4-13(7)9/h2-4H,5,11H2,1H3,(H,14,15)
InChIKeyXRXAIPZFCZCRLT-UHFFFAOYSA-N
XLogP0.16
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-amino-3-ethylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83832703
8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255640
8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255601
8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254986
8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252334
8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252626
8-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 83843636
7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255433
8-amino-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254798
3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252398
3-(aminomethyl)-8-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254847
8-hydroxy-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255582

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255613) is 8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is CS(=O)(=O)Cc1nc(C(=O)O)c2c(N)cccn12.
What is the InChIKey of 8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is XRXAIPZFCZCRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-18(16,17)5-7-12-8(10(14)15)9-6(11)3-2-4-13(7)9/h2-4H,5,11H2,1H3,(H,14,15).
What are the key properties of 8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).