7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine

C16H13N3 — CID 90750973

IUPAC7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine
SMILESC(C=Cc1ccccn1)=Cc1ccn2ccnc2c1
InChIInChI=1S/C16H13N3/c1(2-6-15-7-3-4-9-17-15)5-14-8-11-19-12-10-18-16(19)13-14/h1-13H
InChIKeyBQNVJDWSNJGASX-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.46
Rot. Bonds3

About 7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine

7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine (PubChem CID 90750973) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine
PubChem CID90750973
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine
SMILESC(C=Cc1ccccn1)=Cc1ccn2ccnc2c1
InChIInChI=1S/C16H13N3/c1(2-6-15-7-3-4-9-17-15)5-14-8-11-19-12-10-18-16(19)13-14/h1-13H
InChIKeyBQNVJDWSNJGASX-UHFFFAOYSA-N
XLogP3.46
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine (CID 90750973) is 7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine is C(C=Cc1ccccn1)=Cc1ccn2ccnc2c1.
What is the InChIKey of 7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine?
The InChIKey is BQNVJDWSNJGASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1(2-6-15-7-3-4-9-17-15)5-14-8-11-19-12-10-18-16(19)13-14/h1-13H.
What are the key properties of 7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine?
7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine has a molecular weight of 247.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-pyridin-2-ylbuta-1,3-dienyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 90750973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).