2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole

C17H12BrN5O — CID 123617600

IUPAC2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole
SMILESBrc1nnc(-c2ccc3[nH]cc(-c4cncc(C5CC5)n4)c3c2)o1
InChIInChI=1S/C17H12BrN5O/c18-17-23-22-16(24-17)10-3-4-13-11(5-10)12(6-20-13)15-8-19-7-14(21-15)9-1-2-9/h3-9,20H,1-2H2
InChIKeyZNZYBLVTJPIOEH-UHFFFAOYSA-N
MW382.22 g/mol
LogP4.31
Rot. Bonds3

About 2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole

2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole (PubChem CID 123617600) has the molecular formula C17H12BrN5O and a molecular weight of 382.22 g/mol. Its IUPAC name is 2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole
PubChem CID123617600
Molecular FormulaC17H12BrN5O
Molecular Weight382.22 g/mol
Exact Mass381.02
IUPAC Name2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole
SMILESBrc1nnc(-c2ccc3[nH]cc(-c4cncc(C5CC5)n4)c3c2)o1
InChIInChI=1S/C17H12BrN5O/c18-17-23-22-16(24-17)10-3-4-13-11(5-10)12(6-20-13)15-8-19-7-14(21-15)9-1-2-9/h3-9,20H,1-2H2
InChIKeyZNZYBLVTJPIOEH-UHFFFAOYSA-N
XLogP4.31
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole (CID 123617600) is 2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole is Brc1nnc(-c2ccc3[nH]cc(-c4cncc(C5CC5)n4)c3c2)o1.
What is the InChIKey of 2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole?
The InChIKey is ZNZYBLVTJPIOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O/c18-17-23-22-16(24-17)10-3-4-13-11(5-10)12(6-20-13)15-8-19-7-14(21-15)9-1-2-9/h3-9,20H,1-2H2.
What are the key properties of 2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole?
2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole has a molecular weight of 382.22 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 123617600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).