3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one

C20H12Br2N4O — CID 136995247

IUPAC3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one
SMILESO=c1[nH]cc(-c2c[nH]c3cc(Br)ccc23)nc1-c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C20H12Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-9,23-24H,(H,25,27)
InChIKeyLPTGAABFBHCWMD-UHFFFAOYSA-N
MW484.15 g/mol
LogP5.59
Rot. Bonds2

About 3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one

3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one (PubChem CID 136995247) has the molecular formula C20H12Br2N4O and a molecular weight of 484.15 g/mol. Its IUPAC name is 3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one
PubChem CID136995247
Molecular FormulaC20H12Br2N4O
Molecular Weight484.15 g/mol
Exact Mass481.94
IUPAC Name3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one
SMILESO=c1[nH]cc(-c2c[nH]c3cc(Br)ccc23)nc1-c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C20H12Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-9,23-24H,(H,25,27)
InChIKeyLPTGAABFBHCWMD-UHFFFAOYSA-N
XLogP5.59
TPSA77.33 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.15
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one?
The IUPAC name of 3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one (CID 136995247) is 3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one is O=c1[nH]cc(-c2c[nH]c3cc(Br)ccc23)nc1-c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one?
The InChIKey is LPTGAABFBHCWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-9,23-24H,(H,25,27).
What are the key properties of 3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one?
3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one has a molecular weight of 484.15 g/mol, XLogP of 5.59, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(6-bromo-1H-indol-3-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 136995247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).