2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

C14H15N3O3 — CID 70710840

IUPAC2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCOc1ccc(-c2nc3c([nH]2)CCNC3C(=O)O)cc1
InChIInChI=1S/C14H15N3O3/c1-20-9-4-2-8(3-5-9)13-16-10-6-7-15-12(14(18)19)11(10)17-13/h2-5,12,15H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyVZSAAYQPHIVNGU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.36
Rot. Bonds3

About 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid

2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 70710840) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID70710840
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCOc1ccc(-c2nc3c([nH]2)CCNC3C(=O)O)cc1
InChIInChI=1S/C14H15N3O3/c1-20-9-4-2-8(3-5-9)13-16-10-6-7-15-12(14(18)19)11(10)17-13/h2-5,12,15H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyVZSAAYQPHIVNGU-UHFFFAOYSA-N
XLogP1.36
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid (CID 70710840) is 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is COc1ccc(-c2nc3c([nH]2)CCNC3C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is VZSAAYQPHIVNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-9-4-2-8(3-5-9)13-16-10-6-7-15-12(14(18)19)11(10)17-13/h2-5,12,15H,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid?
2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 70710840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).