2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

C17H20N2O3 — CID 83966445

IUPAC2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCOc1ccc(-c2nc3n(c2C)CC(C(=O)O)CC3)cc1
InChIInChI=1S/C17H20N2O3/c1-3-22-14-7-4-12(5-8-14)16-11(2)19-10-13(17(20)21)6-9-15(19)18-16/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,20,21)
InChIKeyPPKLBFUAUDFXAS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.90
Rot. Bonds4

About 2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 83966445) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID83966445
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCOc1ccc(-c2nc3n(c2C)CC(C(=O)O)CC3)cc1
InChIInChI=1S/C17H20N2O3/c1-3-22-14-7-4-12(5-8-14)16-11(2)19-10-13(17(20)21)6-9-15(19)18-16/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,20,21)
InChIKeyPPKLBFUAUDFXAS-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83966446
1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
CID 119167261
(3R)-1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124683151
1-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167150
1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066703
(3S)-1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 125118228
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 2677955
1-[(4-butoxyphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124354
1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255469
3-(3,4-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81495630
4-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229216

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid (CID 83966445) is 2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is CCOc1ccc(-c2nc3n(c2C)CC(C(=O)O)CC3)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is PPKLBFUAUDFXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-22-14-7-4-12(5-8-14)16-11(2)19-10-13(17(20)21)6-9-15(19)18-16/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid?
2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 83966445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).