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

C28H20BrN5O — CID 50907488

IUPAC2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1
InChIInChI=1S/C28H20BrN5O/c1-18-7-9-20(10-8-18)27-32-33-28(35-27)21-13-16-24-31-25(19-11-14-22(29)15-12-19)26(34(24)17-21)30-23-5-3-2-4-6-23/h2-17,30H,1H3
InChIKeyJFXHWGUZCGXCLC-UHFFFAOYSA-N
MW522.41 g/mol
LogP7.53
Rot. Bonds5

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

2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine (PubChem CID 50907488) has the molecular formula C28H20BrN5O and a molecular weight of 522.41 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
PubChem CID50907488
Molecular FormulaC28H20BrN5O
Molecular Weight522.41 g/mol
Exact Mass521.09
IUPAC Name2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1
InChIInChI=1S/C28H20BrN5O/c1-18-7-9-20(10-8-18)27-32-33-28(35-27)21-13-16-24-31-25(19-11-14-22(29)15-12-19)26(34(24)17-21)30-23-5-3-2-4-6-23/h2-17,30H,1H3
InChIKeyJFXHWGUZCGXCLC-UHFFFAOYSA-N
XLogP7.53
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.41
LogP ≤ 57.53
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-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine (CID 50907488) is 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-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-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine is Cc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is JFXHWGUZCGXCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BrN5O/c1-18-7-9-20(10-8-18)27-32-33-28(35-27)21-13-16-24-31-25(19-11-14-22(29)15-12-19)26(34(24)17-21)30-23-5-3-2-4-6-23/h2-17,30H,1H3.
What are the key properties of 2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine?
2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 522.41 g/mol, XLogP of 7.53, 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-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 50907488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).