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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole
CID 67959733
N-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
CID 90256964
6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
CID 67959898
N-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
CID 90256958
6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine
CID 67959866
5-[3-(4-aminopyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 123533604
2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 114771088
3-bromo-5-cyclopropyl-1H-pyrrolo[3,2-b]pyridine
CID 71222544
2,6-dicyclopropylpyrazine
CID 76847721
N-[6-[3-(2,3-dihydro-1,3,4-oxadiazol-5-yl)-1H-indol-5-yl]pyrazin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 156904312
3-[6-[[(8R)-5-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole
CID 57384133
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023

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).