2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

C13H15N3O2 — CID 61227192

IUPAC2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC1CCN(c2nc3ccccn3c2C(=O)O)C1
InChIInChI=1S/C13H15N3O2/c1-9-5-7-15(8-9)12-11(13(17)18)16-6-3-2-4-10(16)14-12/h2-4,6,9H,5,7-8H2,1H3,(H,17,18)
InChIKeyCCHMNMDHBOTRNY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.88
Rot. Bonds2

About 2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61227192) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61227192
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC1CCN(c2nc3ccccn3c2C(=O)O)C1
InChIInChI=1S/C13H15N3O2/c1-9-5-7-15(8-9)12-11(13(17)18)16-6-3-2-4-10(16)14-12/h2-4,6,9H,5,7-8H2,1H3,(H,17,18)
InChIKeyCCHMNMDHBOTRNY-UHFFFAOYSA-N
XLogP1.88
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477803
2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102958616
2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63163885
2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 62063458
2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43584666
2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 66083555
(E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 43477879
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 106314441
2-(2-carbamoylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477869
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102883872
2-(2-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477885
2-(2-ethylazepan-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 104690132

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 61227192) is 2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is CC1CCN(c2nc3ccccn3c2C(=O)O)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is CCHMNMDHBOTRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-5-7-15(8-9)12-11(13(17)18)16-6-3-2-4-10(16)14-12/h2-4,6,9H,5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61227192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).