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

C21H19N3O4 — CID 118723185

IUPAC5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one
SMILESCOc1cc(-c2nc(-c3c[nH]c4ccccc34)c[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
InChIKeyCGXHFSJDSWAEMT-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.61
Rot. Bonds5

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

5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one (PubChem CID 118723185) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one
PubChem CID118723185
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one
SMILESCOc1cc(-c2nc(-c3c[nH]c4ccccc34)c[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
InChIKeyCGXHFSJDSWAEMT-UHFFFAOYSA-N
XLogP3.61
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one (CID 118723185) is 5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one is COc1cc(-c2nc(-c3c[nH]c4ccccc34)c[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one?
The InChIKey is CGXHFSJDSWAEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25).
What are the key properties of 5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one?
5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one has a molecular weight of 377.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 118723185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).