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

C19H14BrN5O — CID 164946298

IUPAC2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3cn(C)c4ncc(Br)cc34)o2)c2ccccc21
InChIInChI=1S/C19H14BrN5O/c1-24-9-14(12-5-3-4-6-16(12)24)18-22-23-19(26-18)15-10-25(2)17-13(15)7-11(20)8-21-17/h3-10H,1-2H3
InChIKeyPTQRWRAZEFTIOP-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.54
Rot. Bonds2

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

2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole (PubChem CID 164946298) has the molecular formula C19H14BrN5O and a molecular weight of 408.26 g/mol. Its IUPAC name is 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
PubChem CID164946298
Molecular FormulaC19H14BrN5O
Molecular Weight408.26 g/mol
Exact Mass407.04
IUPAC Name2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3cn(C)c4ncc(Br)cc34)o2)c2ccccc21
InChIInChI=1S/C19H14BrN5O/c1-24-9-14(12-5-3-4-6-16(12)24)18-22-23-19(26-18)15-10-25(2)17-13(15)7-11(20)8-21-17/h3-10H,1-2H3
InChIKeyPTQRWRAZEFTIOP-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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Related Compounds

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 4882056
2-[6-(2-Ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-5-methyl-1,3,4-oxadiazole
CID 170759455
2-Methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole
CID 170759479
2-Ethyl-5-[6-(2-ethylpyrazol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,3,4-oxadiazole
CID 170759510
2-(4-bromophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 50907485
2-(4-bromophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 50907488
2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 52953336
2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 53232283
2-(7-Methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 155533015
2-(8-Bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 164618345
4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 164620449
2-(4-Bromophenyl)-5-imidazo[1,2-a]pyridin-2-yl-1,3,4-oxadiazole
CID 164621800

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole (CID 164946298) is 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(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-(1-methylindol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole is Cn1cc(-c2nnc(-c3cn(C)c4ncc(Br)cc34)o2)c2ccccc21.
What is the InChIKey of 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole?
The InChIKey is PTQRWRAZEFTIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O/c1-24-9-14(12-5-3-4-6-16(12)24)18-22-23-19(26-18)15-10-25(2)17-13(15)7-11(20)8-21-17/h3-10H,1-2H3.
What are the key properties of 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole?
2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(1-methylindol-3-yl)-1,3,4-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 2-(5-bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 164946298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).