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

C15H15ClN2O3 — CID 117249395

IUPAC1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1ccc(-c2nc(Cl)c3n2CCC(C(=O)O)C3)cc1
InChIInChI=1S/C15H15ClN2O3/c1-21-11-4-2-9(3-5-11)14-17-13(16)12-8-10(15(19)20)6-7-18(12)14/h2-5,10H,6-8H2,1H3,(H,19,20)
InChIKeyFZKVHZRTGGQYIB-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.86
Rot. Bonds3

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

1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117249395) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117249395
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1ccc(-c2nc(Cl)c3n2CCC(C(=O)O)C3)cc1
InChIInChI=1S/C15H15ClN2O3/c1-21-11-4-2-9(3-5-11)14-17-13(16)12-8-10(15(19)20)6-7-18(12)14/h2-5,10H,6-8H2,1H3,(H,19,20)
InChIKeyFZKVHZRTGGQYIB-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (CID 117249395) is 1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is COc1ccc(-c2nc(Cl)c3n2CCC(C(=O)O)C3)cc1.
What is the InChIKey of 1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is FZKVHZRTGGQYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-11-4-2-9(3-5-11)14-17-13(16)12-8-10(15(19)20)6-7-18(12)14/h2-5,10H,6-8H2,1H3,(H,19,20).
What are the key properties of 1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117249395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).