3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid

C16H13FN2O4 — CID 117255306

IUPAC3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)nc(COc3ccc(F)cc3)n2c1
InChIInChI=1S/C16H13FN2O4/c1-22-12-6-7-13-15(16(20)21)18-14(19(13)8-12)9-23-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3,(H,20,21)
InChIKeyXRQKHIJCTFIAON-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.76
Rot. Bonds5

About 3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid

3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255306) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255306
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)nc(COc3ccc(F)cc3)n2c1
InChIInChI=1S/C16H13FN2O4/c1-22-12-6-7-13-15(16(20)21)18-14(19(13)8-12)9-23-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3,(H,20,21)
InChIKeyXRQKHIJCTFIAON-UHFFFAOYSA-N
XLogP2.76
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246965
6-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255302
6-methoxy-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255271
8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255555
7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255453
5-[(4-methoxyphenoxy)methyl]-2H-triazole-4-carboxylic acid
CID 117214219
6-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742664
7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255515
methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253835
5-[(4-methoxyphenoxy)methyl]-1H-imidazole-4-carboxylic acid
CID 115005649
2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid
CID 117188427
5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82087072

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255306) is 3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid is COc1ccc2c(C(=O)O)nc(COc3ccc(F)cc3)n2c1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is XRQKHIJCTFIAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4/c1-22-12-6-7-13-15(16(20)21)18-14(19(13)8-12)9-23-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid?
3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 316.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).