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

C19H14BrN5O — CID 155816565

IUPAC5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(-c3cn(C)c4ncc(Br)cc34)n2)c2ccccc21
InChIInChI=1S/C19H14BrN5O/c1-24-9-14(12-5-3-4-6-16(12)24)17-22-19(26-23-17)15-10-25(2)18-13(15)7-11(20)8-21-18/h3-10H,1-2H3
InChIKeyCMEIMSZXMYSGKK-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.54
Rot. Bonds2

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

5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (PubChem CID 155816565) has the molecular formula C19H14BrN5O and a molecular weight of 408.26 g/mol. Its IUPAC name is 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
PubChem CID155816565
Molecular FormulaC19H14BrN5O
Molecular Weight408.26 g/mol
Exact Mass407.04
IUPAC Name5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(-c3cn(C)c4ncc(Br)cc34)n2)c2ccccc21
InChIInChI=1S/C19H14BrN5O/c1-24-9-14(12-5-3-4-6-16(12)24)17-22-19(26-23-17)15-10-25(2)18-13(15)7-11(20)8-21-18/h3-10H,1-2H3
InChIKeyCMEIMSZXMYSGKK-UHFFFAOYSA-N
XLogP4.54
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (CID 155816565) is 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(-c3cn(C)c4ncc(Br)cc34)n2)c2ccccc21.
What is the InChIKey of 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is CMEIMSZXMYSGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O/c1-24-9-14(12-5-3-4-6-16(12)24)17-22-19(26-23-17)15-10-25(2)18-13(15)7-11(20)8-21-18/h3-10H,1-2H3.
What are the key properties of 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 408.26 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 155816565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).