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

C17H16N8S — CID 100828136

IUPAC3-(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
SMILESCc1nc2ccccn2c1-c1nnc2sc(-c3cc(C(C)C)[nH]n3)nn12
InChIInChI=1S/C17H16N8S/c1-9(2)11-8-12(20-19-11)16-23-25-15(21-22-17(25)26-16)14-10(3)18-13-6-4-5-7-24(13)14/h4-9H,1-3H3,(H,19,20)
InChIKeyUYNLHDHFARQLHC-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.32
Rot. Bonds3

About 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

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 (PubChem CID 100828136) has the molecular formula C17H16N8S and a molecular weight of 364.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID100828136
Molecular FormulaC17H16N8S
Molecular Weight364.44 g/mol
Exact Mass364.12
IUPAC Name3-(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
SMILESCc1nc2ccccn2c1-c1nnc2sc(-c3cc(C(C)C)[nH]n3)nn12
InChIInChI=1S/C17H16N8S/c1-9(2)11-8-12(20-19-11)16-23-25-15(21-22-17(25)26-16)14-10(3)18-13-6-4-5-7-24(13)14/h4-9H,1-3H3,(H,19,20)
InChIKeyUYNLHDHFARQLHC-UHFFFAOYSA-N
XLogP3.32
TPSA89.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2ccccn2c1-c1nnc2sc(-c3cc(C(C)C)[nH]n3)nn12.
What is the InChIKey of 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?
The InChIKey is UYNLHDHFARQLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8S/c1-9(2)11-8-12(20-19-11)16-23-25-15(21-22-17(25)26-16)14-10(3)18-13-6-4-5-7-24(13)14/h4-9H,1-3H3,(H,19,20).
What are the key properties of 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?
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 has a molecular weight of 364.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 100828136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).