2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole

C19H13BrFN5O — CID 164946188

IUPAC2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3cn(C)c4ncc(Br)cc34)o2)c2cc(F)ccc21
InChIInChI=1S/C19H13BrFN5O/c1-25-8-14(12-6-11(21)3-4-16(12)25)18-23-24-19(27-18)15-9-26(2)17-13(15)5-10(20)7-22-17/h3-9H,1-2H3
InChIKeyGLJBQLFUMGPBJA-UHFFFAOYSA-N
MW426.25 g/mol
LogP4.68
Rot. Bonds2

About 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole

2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole (PubChem CID 164946188) has the molecular formula C19H13BrFN5O and a molecular weight of 426.25 g/mol. Its IUPAC name is 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole
PubChem CID164946188
Molecular FormulaC19H13BrFN5O
Molecular Weight426.25 g/mol
Exact Mass425.03
IUPAC Name2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3cn(C)c4ncc(Br)cc34)o2)c2cc(F)ccc21
InChIInChI=1S/C19H13BrFN5O/c1-25-8-14(12-6-11(21)3-4-16(12)25)18-23-24-19(27-18)15-9-26(2)17-13(15)5-10(20)7-22-17/h3-9H,1-2H3
InChIKeyGLJBQLFUMGPBJA-UHFFFAOYSA-N
XLogP4.68
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.25
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole (CID 164946188) is 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole is Cn1cc(-c2nnc(-c3cn(C)c4ncc(Br)cc34)o2)c2cc(F)ccc21.
What is the InChIKey of 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole?
The InChIKey is GLJBQLFUMGPBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN5O/c1-25-8-14(12-6-11(21)3-4-16(12)25)18-23-24-19(27-18)15-9-26(2)17-13(15)5-10(20)7-22-17/h3-9H,1-2H3.
What are the key properties of 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole?
2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole has a molecular weight of 426.25 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(5-fluoro-1-methylindol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 164946188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).