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

C17H11N3O3 — CID 86645252

IUPAC2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(CN2C(=O)c3ccccc3C2=O)nc2ccccn12
InChIInChI=1S/C17H11N3O3/c21-10-14-13(18-15-7-3-4-8-19(14)15)9-20-16(22)11-5-1-2-6-12(11)17(20)23/h1-8,10H,9H2
InChIKeyVJWZRNZPCZBQHN-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.94
Rot. Bonds3

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

2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 86645252) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID86645252
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC Name2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(CN2C(=O)c3ccccc3C2=O)nc2ccccn12
InChIInChI=1S/C17H11N3O3/c21-10-14-13(18-15-7-3-4-8-19(14)15)9-20-16(22)11-5-1-2-6-12(11)17(20)23/h1-8,10H,9H2
InChIKeyVJWZRNZPCZBQHN-UHFFFAOYSA-N
XLogP1.94
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 86645252) is 2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(CN2C(=O)c3ccccc3C2=O)nc2ccccn12.
What is the InChIKey of 2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is VJWZRNZPCZBQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c21-10-14-13(18-15-7-3-4-8-19(14)15)9-20-16(22)11-5-1-2-6-12(11)17(20)23/h1-8,10H,9H2.
What are the key properties of 2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 305.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 86645252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).