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

C10H11N3O3 — CID 117255640

IUPAC8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOCc1nc(C(=O)O)c2c(N)cccn12
InChIInChI=1S/C10H11N3O3/c1-16-5-7-12-8(10(14)15)9-6(11)3-2-4-13(7)9/h2-4H,5,11H2,1H3,(H,14,15)
InChIKeyWNQNGJJLUZKTMU-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.76
Rot. Bonds3

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

8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255640) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255640
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOCc1nc(C(=O)O)c2c(N)cccn12
InChIInChI=1S/C10H11N3O3/c1-16-5-7-12-8(10(14)15)9-6(11)3-2-4-13(7)9/h2-4H,5,11H2,1H3,(H,14,15)
InChIKeyWNQNGJJLUZKTMU-UHFFFAOYSA-N
XLogP0.76
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-hydroxy-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255582
8-amino-3-ethylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83832703
8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255613
8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254986
8-amino-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255601
3-(aminomethyl)-8-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254847
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133
8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255555
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
8-amino-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254798

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255640) is 8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is COCc1nc(C(=O)O)c2c(N)cccn12.
What is the InChIKey of 8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is WNQNGJJLUZKTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-16-5-7-12-8(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-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).