2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine

C27H17BrFN5O — CID 50907485

IUPAC2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESFc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1
InChIInChI=1S/C27H17BrFN5O/c28-20-11-6-17(7-12-20)24-25(30-22-4-2-1-3-5-22)34-16-19(10-15-23(34)31-24)27-33-32-26(35-27)18-8-13-21(29)14-9-18/h1-16,30H
InChIKeyDFDJVGBKUAFETR-UHFFFAOYSA-N
MW526.37 g/mol
LogP7.36
Rot. Bonds5

About 2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine

2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine (PubChem CID 50907485) has the molecular formula C27H17BrFN5O and a molecular weight of 526.37 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
PubChem CID50907485
Molecular FormulaC27H17BrFN5O
Molecular Weight526.37 g/mol
Exact Mass525.06
IUPAC Name2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESFc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1
InChIInChI=1S/C27H17BrFN5O/c28-20-11-6-17(7-12-20)24-25(30-22-4-2-1-3-5-22)34-16-19(10-15-23(34)31-24)27-33-32-26(35-27)18-8-13-21(29)14-9-18/h1-16,30H
InChIKeyDFDJVGBKUAFETR-UHFFFAOYSA-N
XLogP7.36
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.37
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine (CID 50907485) is 2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine is Fc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is DFDJVGBKUAFETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17BrFN5O/c28-20-11-6-17(7-12-20)24-25(30-22-4-2-1-3-5-22)34-16-19(10-15-23(34)31-24)27-33-32-26(35-27)18-8-13-21(29)14-9-18/h1-16,30H.
What are the key properties of 2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 526.37 g/mol, XLogP of 7.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 50907485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).