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

C15H15ClN2O3 — CID 117247940

IUPAC1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCOc1ccccc1-c1nc(Cl)c2n1C(C(=O)O)CCC2
InChIInChI=1S/C15H15ClN2O3/c1-21-12-8-3-2-5-9(12)14-17-13(16)10-6-4-7-11(15(19)20)18(10)14/h2-3,5,8,11H,4,6-7H2,1H3,(H,19,20)
InChIKeyWFJKMJRQHGRXJE-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.17
Rot. Bonds3

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

1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117247940) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117247940
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCOc1ccccc1-c1nc(Cl)c2n1C(C(=O)O)CCC2
InChIInChI=1S/C15H15ClN2O3/c1-21-12-8-3-2-5-9(12)14-17-13(16)10-6-4-7-11(15(19)20)18(10)14/h2-3,5,8,11H,4,6-7H2,1H3,(H,19,20)
InChIKeyWFJKMJRQHGRXJE-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine
CID 117247964
3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117149432
1-chloro-3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117248007
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249335
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117249360
5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247945
3-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150494
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117250047
3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247715
3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83664545
9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
CID 115036384
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 137005446

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid (CID 117247940) is 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid is COc1ccccc1-c1nc(Cl)c2n1C(C(=O)O)CCC2.
What is the InChIKey of 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is WFJKMJRQHGRXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-12-8-3-2-5-9(12)14-17-13(16)10-6-4-7-11(15(19)20)18(10)14/h2-3,5,8,11H,4,6-7H2,1H3,(H,19,20).
What are the key properties of 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117247940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).