3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine

C28H22N4O2Se2 — CID 139262366

IUPAC3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine
SMILESCOc1ccc(-c2nc([Se][Se]c3nc(-c4ccc(OC)cc4)n4ccccc34)c3ccccn23)cc1
InChIInChI=1S/C28H22N4O2Se2/c1-33-21-13-9-19(10-14-21)25-29-27(23-7-3-5-17-31(23)25)35-36-28-24-8-4-6-18-32(24)26(30-28)20-11-15-22(34-2)16-12-20/h3-18H,1-2H3
InChIKeyHKKLIRVJNHESRB-UHFFFAOYSA-N
MW604.43 g/mol
LogP3.61
Rot. Bonds7

About 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine

3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine (PubChem CID 139262366) has the molecular formula C28H22N4O2Se2 and a molecular weight of 604.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine
PubChem CID139262366
Molecular FormulaC28H22N4O2Se2
Molecular Weight604.43 g/mol
Exact Mass606.01
IUPAC Name3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine
SMILESCOc1ccc(-c2nc([Se][Se]c3nc(-c4ccc(OC)cc4)n4ccccc34)c3ccccn23)cc1
InChIInChI=1S/C28H22N4O2Se2/c1-33-21-13-9-19(10-14-21)25-29-27(23-7-3-5-17-31(23)25)35-36-28-24-8-4-6-18-32(24)26(30-28)20-11-15-22(34-2)16-12-20/h3-18H,1-2H3
InChIKeyHKKLIRVJNHESRB-UHFFFAOYSA-N
XLogP3.61
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.43
LogP ≤ 53.61
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-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine (CID 139262366) is 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine is COc1ccc(-c2nc([Se][Se]c3nc(-c4ccc(OC)cc4)n4ccccc34)c3ccccn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine?
The InChIKey is HKKLIRVJNHESRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2Se2/c1-33-21-13-9-19(10-14-21)25-29-27(23-7-3-5-17-31(23)25)35-36-28-24-8-4-6-18-32(24)26(30-28)20-11-15-22(34-2)16-12-20/h3-18H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine?
3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine has a molecular weight of 604.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 139262366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).