5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one

C21H19N3O5 — CID 118723194

IUPAC5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one
SMILESCOc1cc(-c2nc(-c3c[nH]c4ccc(O)cc34)c[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C21H19N3O5/c1-27-17-6-11(7-18(28-2)20(17)29-3)19-21(26)23-10-16(24-19)14-9-22-15-5-4-12(25)8-13(14)15/h4-10,22,25H,1-3H3,(H,23,26)
InChIKeyILINNDGNZFNSHG-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.32
Rot. Bonds5

About 5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one

5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one (PubChem CID 118723194) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one
PubChem CID118723194
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one
SMILESCOc1cc(-c2nc(-c3c[nH]c4ccc(O)cc34)c[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C21H19N3O5/c1-27-17-6-11(7-18(28-2)20(17)29-3)19-21(26)23-10-16(24-19)14-9-22-15-5-4-12(25)8-13(14)15/h4-10,22,25H,1-3H3,(H,23,26)
InChIKeyILINNDGNZFNSHG-UHFFFAOYSA-N
XLogP3.32
TPSA109.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one (CID 118723194) is 5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one is COc1cc(-c2nc(-c3c[nH]c4ccc(O)cc34)c[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one?
The InChIKey is ILINNDGNZFNSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-27-17-6-11(7-18(28-2)20(17)29-3)19-21(26)23-10-16(24-19)14-9-22-15-5-4-12(25)8-13(14)15/h4-10,22,25H,1-3H3,(H,23,26).
What are the key properties of 5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one?
5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one has a molecular weight of 393.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 118723194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).