2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

C13H15N3O2 — CID 103534998

IUPAC2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCOC1CCN(c2nc3ccccn3c2C=O)C1
InChIInChI=1S/C13H15N3O2/c1-18-10-5-7-15(8-10)13-11(9-17)16-6-3-2-4-12(16)14-13/h2-4,6,9-10H,5,7-8H2,1H3
InChIKeyUHPUEQADUGLBRY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.37
Rot. Bonds3

About 2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 103534998) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID103534998
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCOC1CCN(c2nc3ccccn3c2C=O)C1
InChIInChI=1S/C13H15N3O2/c1-18-10-5-7-15(8-10)13-11(9-17)16-6-3-2-4-12(16)14-13/h2-4,6,9-10H,5,7-8H2,1H3
InChIKeyUHPUEQADUGLBRY-UHFFFAOYSA-N
XLogP1.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Imidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062168
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 717824
Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 821015
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
Ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate
CID 11736475
Imidazo(1,2-a)pyridine-3-carboxylic acid
CID 73142
2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 89054
1-{2-Methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
CID 2735255
Ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 10567382
Methyl 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 718831
3-Aminoimidazo[1,2-A]pyridine-2-carboxylic acid
CID 76326129

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 103534998) is 2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is COC1CCN(c2nc3ccccn3c2C=O)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is UHPUEQADUGLBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-10-5-7-15(8-10)13-11(9-17)16-6-3-2-4-12(16)14-13/h2-4,6,9-10H,5,7-8H2,1H3.
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 245.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 103534998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).