3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C20H13N7S — CID 100828128

IUPAC3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nc2ccccn2c1-c1nnc2sc(-c3cccc4cccnc34)nn12
InChIInChI=1S/C20H13N7S/c1-12-17(26-11-3-2-9-15(26)22-12)18-23-24-20-27(18)25-19(28-20)14-8-4-6-13-7-5-10-21-16(13)14/h2-11H,1H3
InChIKeyPJWAYTZWSIDHRZ-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.02
Rot. Bonds2

About 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 100828128) has the molecular formula C20H13N7S and a molecular weight of 383.44 g/mol. Its IUPAC name is 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-quinolin-8-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-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID100828128
Molecular FormulaC20H13N7S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nc2ccccn2c1-c1nnc2sc(-c3cccc4cccnc34)nn12
InChIInChI=1S/C20H13N7S/c1-12-17(26-11-3-2-9-15(26)22-12)18-23-24-20-27(18)25-19(28-20)14-8-4-6-13-7-5-10-21-16(13)14/h2-11H,1H3
InChIKeyPJWAYTZWSIDHRZ-UHFFFAOYSA-N
XLogP4.02
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
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-quinolin-8-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-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 100828128) is 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-quinolin-8-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-quinolin-8-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-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1nc2ccccn2c1-c1nnc2sc(-c3cccc4cccnc34)nn12.
What is the InChIKey of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is PJWAYTZWSIDHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N7S/c1-12-17(26-11-3-2-9-15(26)22-12)18-23-24-20-27(18)25-19(28-20)14-8-4-6-13-7-5-10-21-16(13)14/h2-11H,1H3.
What are the key properties of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 383.44 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 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-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 100828128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).