2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole

C17H12Br2N4OS — CID 163297290

IUPAC2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1nc2ccc(Br)cn2c1-c1nnc(SCc2ccc(Br)cc2)o1
InChIInChI=1S/C17H12Br2N4OS/c1-10-15(23-8-13(19)6-7-14(23)20-10)16-21-22-17(24-16)25-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3
InChIKeyGANXAZLZWSJAOA-UHFFFAOYSA-N
MW480.19 g/mol
LogP5.51
Rot. Bonds4

About 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole

2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 163297290) has the molecular formula C17H12Br2N4OS and a molecular weight of 480.19 g/mol. Its IUPAC name is 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID163297290
Molecular FormulaC17H12Br2N4OS
Molecular Weight480.19 g/mol
Exact Mass477.91
IUPAC Name2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1nc2ccc(Br)cn2c1-c1nnc(SCc2ccc(Br)cc2)o1
InChIInChI=1S/C17H12Br2N4OS/c1-10-15(23-8-13(19)6-7-14(23)20-10)16-21-22-17(24-16)25-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3
InChIKeyGANXAZLZWSJAOA-UHFFFAOYSA-N
XLogP5.51
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.19
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole (CID 163297290) is 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole is Cc1nc2ccc(Br)cn2c1-c1nnc(SCc2ccc(Br)cc2)o1.
What is the InChIKey of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is GANXAZLZWSJAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N4OS/c1-10-15(23-8-13(19)6-7-14(23)20-10)16-21-22-17(24-16)25-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole?
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 480.19 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-5-[(4-bromophenyl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 163297290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).