6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C11H13N3O3 — CID 117250975

IUPAC6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOCCc1nc(C(=O)O)c2ccc(N)cn12
InChIInChI=1S/C11H13N3O3/c1-17-5-4-9-13-10(11(15)16)8-3-2-7(12)6-14(8)9/h2-3,6H,4-5,12H2,1H3,(H,15,16)
InChIKeyTZADBWGNZFPXCF-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.80
Rot. Bonds4

About 6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117250975) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117250975
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOCCc1nc(C(=O)O)c2ccc(N)cn12
InChIInChI=1S/C11H13N3O3/c1-17-5-4-9-13-10(11(15)16)8-3-2-7(12)6-14(8)9/h2-3,6H,4-5,12H2,1H3,(H,15,16)
InChIKeyTZADBWGNZFPXCF-UHFFFAOYSA-N
XLogP0.80
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117250975) is 6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is COCCc1nc(C(=O)O)c2ccc(N)cn12.
What is the InChIKey of 6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is TZADBWGNZFPXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-17-5-4-9-13-10(11(15)16)8-3-2-7(12)6-14(8)9/h2-3,6H,4-5,12H2,1H3,(H,15,16).
What are the key properties of 6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117250975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).