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

C15H13FN2O4 — CID 117248668

IUPAC3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2F)n2c1CCC(C(=O)O)C2
InChIInChI=1S/C15H13FN2O4/c16-10-4-2-1-3-9(10)13-17-12(15(21)22)11-6-5-8(14(19)20)7-18(11)13/h1-4,8H,5-7H2,(H,19,20)(H,21,22)
InChIKeyQKXIQIZMPYDHCE-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.03
Rot. Bonds3

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

3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid (PubChem CID 117248668) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
PubChem CID117248668
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2F)n2c1CCC(C(=O)O)C2
InChIInChI=1S/C15H13FN2O4/c16-10-4-2-1-3-9(10)13-17-12(15(21)22)11-6-5-8(14(19)20)7-18(11)13/h1-4,8H,5-7H2,(H,19,20)(H,21,22)
InChIKeyQKXIQIZMPYDHCE-UHFFFAOYSA-N
XLogP2.03
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 137005477
6-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248667
3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 117248395
3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249342
6-amino-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248625
6-methoxycarbonyl-3-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248727
1-[5-(2-fluorophenyl)-1,3-oxazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 154844847
3-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81496498
7-hydroxy-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005498
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
3-(3,4-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81495630
3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005501

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid (CID 117248668) is 3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid is O=C(O)c1nc(-c2ccccc2F)n2c1CCC(C(=O)O)C2.
What is the InChIKey of 3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid?
The InChIKey is QKXIQIZMPYDHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c16-10-4-2-1-3-9(10)13-17-12(15(21)22)11-6-5-8(14(19)20)7-18(11)13/h1-4,8H,5-7H2,(H,19,20)(H,21,22).
What are the key properties of 3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid?
3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid has a molecular weight of 304.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid is sourced from PubChem (CID 117248668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).