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

C15H15ClN2O3 — CID 117249335

IUPAC1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1ccccc1-c1nc(Cl)c2n1CCC(C(=O)O)C2
InChIInChI=1S/C15H15ClN2O3/c1-21-12-5-3-2-4-10(12)14-17-13(16)11-8-9(15(19)20)6-7-18(11)14/h2-5,9H,6-8H2,1H3,(H,19,20)
InChIKeyVYFNRYWQHGRUDY-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.86
Rot. Bonds3

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

1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117249335) 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-7-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117249335
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-7-carboxylic acid
SMILESCOc1ccccc1-c1nc(Cl)c2n1CCC(C(=O)O)C2
InChIInChI=1S/C15H15ClN2O3/c1-21-12-5-3-2-4-10(12)14-17-13(16)11-8-9(15(19)20)6-7-18(11)14/h2-5,9H,6-8H2,1H3,(H,19,20)
InChIKeyVYFNRYWQHGRUDY-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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Related Compounds

1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249330
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117249360
1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249395
methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 137005490
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117247940
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117250047
3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83664545
3-(2-fluorophenyl)-7-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249342
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine
CID 117247964
1-[2-(2-methoxyphenyl)quinolin-4-yl]piperidine-4-carboxamide
CID 10594748
1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154743864
2-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82134922

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (CID 117249335) is 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is COc1ccccc1-c1nc(Cl)c2n1CCC(C(=O)O)C2.
What is the InChIKey of 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is VYFNRYWQHGRUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-12-5-3-2-4-10(12)14-17-13(16)11-8-9(15(19)20)6-7-18(11)14/h2-5,9H,6-8H2,1H3,(H,19,20).
What are the key properties of 1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
1-chloro-3-(2-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-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117249335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).