6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C25H20N6S — CID 100828039

IUPAC6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nc2ccccn2c1-c1nnc2sc(CC(c3ccccc3)c3ccccc3)nn12
InChIInChI=1S/C25H20N6S/c1-17-23(30-15-9-8-14-21(30)26-17)24-27-28-25-31(24)29-22(32-25)16-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,20H,16H2,1H3
InChIKeyCWAZVJHKSDLSBR-UHFFFAOYSA-N
MW436.54 g/mol
LogP5.18
Rot. Bonds5

About 6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 100828039) has the molecular formula C25H20N6S and a molecular weight of 436.54 g/mol. Its IUPAC name is 6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID100828039
Molecular FormulaC25H20N6S
Molecular Weight436.54 g/mol
Exact Mass436.15
IUPAC Name6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nc2ccccn2c1-c1nnc2sc(CC(c3ccccc3)c3ccccc3)nn12
InChIInChI=1S/C25H20N6S/c1-17-23(30-15-9-8-14-21(30)26-17)24-27-28-25-31(24)29-22(32-25)16-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,20H,16H2,1H3
InChIKeyCWAZVJHKSDLSBR-UHFFFAOYSA-N
XLogP5.18
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

6-(1,1-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828038
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828048
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828070
6-[(2,4-dibromo-6-methylphenoxy)methyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828077
6-(3-iodophenyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100827975
3-(1-benzofuran-2-yl)-6-(2,2-diphenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 91962931
6-(furan-2-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828104
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100828136
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 91972327
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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6-[2-(4-methoxyphenyl)ethenyl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 171132486
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 102567072

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 100828039) is 6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1nc2ccccn2c1-c1nnc2sc(CC(c3ccccc3)c3ccccc3)nn12.
What is the InChIKey of 6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CWAZVJHKSDLSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6S/c1-17-23(30-15-9-8-14-21(30)26-17)24-27-28-25-31(24)29-22(32-25)16-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,20H,16H2,1H3.
What are the key properties of 6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 436.54 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-diphenylethyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 100828039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).