methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate

C19H19N3O2 — CID 24993510

IUPACmethyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(N4CCCC4)cc3)cn2c1
InChIInChI=1S/C19H19N3O2/c1-24-19(23)15-6-9-18-20-17(13-22(18)12-15)14-4-7-16(8-5-14)21-10-2-3-11-21/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeyMKXFEGGTSIUQNW-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.39
Rot. Bonds3

About methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 24993510) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID24993510
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namemethyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(N4CCCC4)cc3)cn2c1
InChIInChI=1S/C19H19N3O2/c1-24-19(23)15-6-9-18-20-17(13-22(18)12-15)14-4-7-16(8-5-14)21-10-2-3-11-21/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeyMKXFEGGTSIUQNW-UHFFFAOYSA-N
XLogP3.39
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 24993510) is methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(N4CCCC4)cc3)cn2c1.
What is the InChIKey of methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is MKXFEGGTSIUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-19(23)15-6-9-18-20-17(13-22(18)12-15)14-4-7-16(8-5-14)21-10-2-3-11-21/h4-9,12-13H,2-3,10-11H2,1H3.
What are the key properties of methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 24993510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).