3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid

C16H11FN2O4 — CID 117250743

IUPAC3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOC(=O)c1cccc2c(C(=O)O)nc(-c3ccccc3F)n12
InChIInChI=1S/C16H11FN2O4/c1-23-16(22)12-8-4-7-11-13(15(20)21)18-14(19(11)12)9-5-2-3-6-10(9)17/h2-8H,1H3,(H,20,21)
InChIKeyDSJKOQRJIGAPSH-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.63
Rot. Bonds3

About 3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid

3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117250743) has the molecular formula C16H11FN2O4 and a molecular weight of 314.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117250743
Molecular FormulaC16H11FN2O4
Molecular Weight314.27 g/mol
Exact Mass314.07
IUPAC Name3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOC(=O)c1cccc2c(C(=O)O)nc(-c3ccccc3F)n12
InChIInChI=1S/C16H11FN2O4/c1-23-16(22)12-8-4-7-11-13(15(20)21)18-14(19(11)12)9-5-2-3-6-10(9)17/h2-8H,1H3,(H,20,21)
InChIKeyDSJKOQRJIGAPSH-UHFFFAOYSA-N
XLogP2.63
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250797
3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249342
methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422946
5-amino-3-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250835
3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005666
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117250443
2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253362
5-amino-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250700
4-fluoro-1-methoxyindazole-3-carboxylic acid
CID 67229837
methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142818
5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid
CID 105494099

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117250743) is 3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid is COC(=O)c1cccc2c(C(=O)O)nc(-c3ccccc3F)n12.
What is the InChIKey of 3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is DSJKOQRJIGAPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4/c1-23-16(22)12-8-4-7-11-13(15(20)21)18-14(19(11)12)9-5-2-3-6-10(9)17/h2-8H,1H3,(H,20,21).
What are the key properties of 3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 314.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117250743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).