5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine

C15H10BrF2N7O — CID 11384665

IUPAC5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(-c3nnc(N)o3)nc21
InChIInChI=1S/C15H10BrF2N7O/c1-25-5-20-11-9(18)10(21-8-3-2-6(16)4-7(8)17)12(22-13(11)25)14-23-24-15(19)26-14/h2-5,21H,1H3,(H2,19,24)
InChIKeyFQEIZMLKGCZOIA-UHFFFAOYSA-N
MW422.19 g/mol
LogP3.38
Rot. Bonds3

About 5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine

5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 11384665) has the molecular formula C15H10BrF2N7O and a molecular weight of 422.19 g/mol. Its IUPAC name is 5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID11384665
Molecular FormulaC15H10BrF2N7O
Molecular Weight422.19 g/mol
Exact Mass421.01
IUPAC Name5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(-c3nnc(N)o3)nc21
InChIInChI=1S/C15H10BrF2N7O/c1-25-5-20-11-9(18)10(21-8-3-2-6(16)4-7(8)17)12(22-13(11)25)14-23-24-15(19)26-14/h2-5,21H,1H3,(H2,19,24)
InChIKeyFQEIZMLKGCZOIA-UHFFFAOYSA-N
XLogP3.38
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.19
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine (CID 11384665) is 5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine is Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(-c3nnc(N)o3)nc21.
What is the InChIKey of 5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FQEIZMLKGCZOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N7O/c1-25-5-20-11-9(18)10(21-8-3-2-6(16)4-7(8)17)12(22-13(11)25)14-23-24-15(19)26-14/h2-5,21H,1H3,(H2,19,24).
What are the key properties of 5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine?
5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 422.19 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11384665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).