3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C16H15FN2O4 — CID 117249342

IUPAC3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOC(=O)C1CCn2c(-c3ccccc3F)nc(C(=O)O)c2C1
InChIInChI=1S/C16H15FN2O4/c1-23-16(22)9-6-7-19-12(8-9)13(15(20)21)18-14(19)10-4-2-3-5-11(10)17/h2-5,9H,6-8H2,1H3,(H,20,21)
InChIKeyUBBOMBWXONTKHU-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.12
Rot. Bonds3

About 3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117249342) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117249342
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOC(=O)C1CCn2c(-c3ccccc3F)nc(C(=O)O)c2C1
InChIInChI=1S/C16H15FN2O4/c1-23-16(22)9-6-7-19-12(8-9)13(15(20)21)18-14(19)10-4-2-3-5-11(10)17/h2-5,9H,6-8H2,1H3,(H,20,21)
InChIKeyUBBOMBWXONTKHU-UHFFFAOYSA-N
XLogP2.12
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid with MolForge

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Related Compounds

methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 137005490
3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 117248668
6-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248667
3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005501
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
methyl 1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate
CID 47072276
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249335
6-methoxycarbonyl-3-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248727
1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249330
5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247945
3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250743
methyl 2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 82567972

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117249342) is 3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is COC(=O)C1CCn2c(-c3ccccc3F)nc(C(=O)O)c2C1.
What is the InChIKey of 3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is UBBOMBWXONTKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-23-16(22)9-6-7-19-12(8-9)13(15(20)21)18-14(19)10-4-2-3-5-11(10)17/h2-5,9H,6-8H2,1H3,(H,20,21).
What are the key properties of 3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 318.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117249342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).