3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine

C24H16N6Se2 — CID 73295419

IUPAC3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine
SMILESc1ccc(-c2nc([Se][Se]c3nc(-c4ccccn4)n4ccccc34)c3ccccn23)nc1
InChIInChI=1S/C24H16N6Se2/c1-5-13-25-17(9-1)21-27-23(19-11-3-7-15-29(19)21)31-32-24-20-12-4-8-16-30(20)22(28-24)18-10-2-6-14-26-18/h1-16H
InChIKeyLGRMIVLRIITXTB-UHFFFAOYSA-N
MW546.35 g/mol
LogP2.38
Rot. Bonds5

About 3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine

3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine (PubChem CID 73295419) has the molecular formula C24H16N6Se2 and a molecular weight of 546.35 g/mol. Its IUPAC name is 3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine
PubChem CID73295419
Molecular FormulaC24H16N6Se2
Molecular Weight546.35 g/mol
Exact Mass547.98
IUPAC Name3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine
SMILESc1ccc(-c2nc([Se][Se]c3nc(-c4ccccn4)n4ccccc34)c3ccccn23)nc1
InChIInChI=1S/C24H16N6Se2/c1-5-13-25-17(9-1)21-27-23(19-11-3-7-15-29(19)21)31-32-24-20-12-4-8-16-30(20)22(28-24)18-10-2-6-14-26-18/h1-16H
InChIKeyLGRMIVLRIITXTB-UHFFFAOYSA-N
XLogP2.38
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine (CID 73295419) is 3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine is c1ccc(-c2nc([Se][Se]c3nc(-c4ccccn4)n4ccccc34)c3ccccn23)nc1.
What is the InChIKey of 3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine?
The InChIKey is LGRMIVLRIITXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6Se2/c1-5-13-25-17(9-1)21-27-23(19-11-3-7-15-29(19)21)31-32-24-20-12-4-8-16-30(20)22(28-24)18-10-2-6-14-26-18/h1-16H.
What are the key properties of 3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine?
3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine has a molecular weight of 546.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1-[(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)diselanyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 73295419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).