2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

C14H15N3O2 — CID 106314441

IUPAC2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC1=CCCN(c2nc3ccccn3c2C(=O)O)C1
InChIInChI=1S/C14H15N3O2/c1-10-5-4-7-16(9-10)13-12(14(18)19)17-8-3-2-6-11(17)15-13/h2-3,5-6,8H,4,7,9H2,1H3,(H,18,19)
InChIKeyTZRJYZKTGBICBE-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.19
Rot. Bonds2

About 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 106314441) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID106314441
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC1=CCCN(c2nc3ccccn3c2C(=O)O)C1
InChIInChI=1S/C14H15N3O2/c1-10-5-4-7-16(9-10)13-12(14(18)19)17-8-3-2-6-11(17)15-13/h2-3,5-6,8H,4,7,9H2,1H3,(H,18,19)
InChIKeyTZRJYZKTGBICBE-UHFFFAOYSA-N
XLogP2.19
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477803
2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 66083555
2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61227192
2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63163885
2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102958616
2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43584666
2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 62063458
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102883872
2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477915
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzoic acid
CID 106314434
2-(2-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477885
2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 54980142

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 106314441) is 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is CC1=CCCN(c2nc3ccccn3c2C(=O)O)C1.
What is the InChIKey of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is TZRJYZKTGBICBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-5-4-7-16(9-10)13-12(14(18)19)17-8-3-2-6-11(17)15-13/h2-3,5-6,8H,4,7,9H2,1H3,(H,18,19).
What are the key properties of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 106314441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).