4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde

C21H13N3O — CID 141450996

IUPAC4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc3ncc(C#Cc4ccncc4)n3c2)cc1
InChIInChI=1S/C21H13N3O/c25-15-17-1-4-18(5-2-17)19-6-8-21-23-13-20(24(21)14-19)7-3-16-9-11-22-12-10-16/h1-2,4-6,8-15H
InChIKeyHVTQIWXIAIMSRV-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.61
Rot. Bonds2

About 4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde

4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde (PubChem CID 141450996) has the molecular formula C21H13N3O and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde.

Molecular Properties

Compound Name4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde
PubChem CID141450996
Molecular FormulaC21H13N3O
Molecular Weight323.36 g/mol
Exact Mass323.11
IUPAC Name4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc3ncc(C#Cc4ccncc4)n3c2)cc1
InChIInChI=1S/C21H13N3O/c25-15-17-1-4-18(5-2-17)19-6-8-21-23-13-20(24(21)14-19)7-3-16-9-11-22-12-10-16/h1-2,4-6,8-15H
InChIKeyHVTQIWXIAIMSRV-UHFFFAOYSA-N
XLogP3.61
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde?
The IUPAC name of 4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde (CID 141450996) is 4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde.
What is the SMILES notation for 4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde?
The canonical SMILES for 4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde is O=Cc1ccc(-c2ccc3ncc(C#Cc4ccncc4)n3c2)cc1.
What is the InChIKey of 4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde?
The InChIKey is HVTQIWXIAIMSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O/c25-15-17-1-4-18(5-2-17)19-6-8-21-23-13-20(24(21)14-19)7-3-16-9-11-22-12-10-16/h1-2,4-6,8-15H.
What are the key properties of 4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde?
4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde has a molecular weight of 323.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-a]pyridin-6-yl]benzaldehyde is sourced from PubChem (CID 141450996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).