3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C15H15ClN2O2 — CID 117248073

IUPAC3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC1CCCc2c(C(=O)O)nc(-c3ccc(Cl)cc3)n21
InChIInChI=1S/C15H15ClN2O2/c1-9-3-2-4-12-13(15(19)20)17-14(18(9)12)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3,(H,19,20)
InChIKeyFSZCNNBMZAPGOI-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.80
Rot. Bonds2

About 3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117248073) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117248073
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC1CCCc2c(C(=O)O)nc(-c3ccc(Cl)cc3)n21
InChIInChI=1S/C15H15ClN2O2/c1-9-3-2-4-12-13(15(19)20)17-14(18(9)12)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3,(H,19,20)
InChIKeyFSZCNNBMZAPGOI-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117248073) is 3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is CC1CCCc2c(C(=O)O)nc(-c3ccc(Cl)cc3)n21.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is FSZCNNBMZAPGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-3-2-4-12-13(15(19)20)17-14(18(9)12)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117248073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).