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

C22H21N3O4 — CID 118723195

IUPAC5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one
SMILESCOc1cc(-c2nc(-c3c[nH]c4ccc(C)cc34)c[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C22H21N3O4/c1-12-5-6-16-14(7-12)15(10-23-16)17-11-24-22(26)20(25-17)13-8-18(27-2)21(29-4)19(9-13)28-3/h5-11,23H,1-4H3,(H,24,26)
InChIKeyBAJXJKMGTOHSDZ-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.92
Rot. Bonds5

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

5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one (PubChem CID 118723195) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one
PubChem CID118723195
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one
SMILESCOc1cc(-c2nc(-c3c[nH]c4ccc(C)cc34)c[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C22H21N3O4/c1-12-5-6-16-14(7-12)15(10-23-16)17-11-24-22(26)20(25-17)13-8-18(27-2)21(29-4)19(9-13)28-3/h5-11,23H,1-4H3,(H,24,26)
InChIKeyBAJXJKMGTOHSDZ-UHFFFAOYSA-N
XLogP3.92
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one (CID 118723195) is 5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one is COc1cc(-c2nc(-c3c[nH]c4ccc(C)cc34)c[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of 5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one?
The InChIKey is BAJXJKMGTOHSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-12-5-6-16-14(7-12)15(10-23-16)17-11-24-22(26)20(25-17)13-8-18(27-2)21(29-4)19(9-13)28-3/h5-11,23H,1-4H3,(H,24,26).
What are the key properties of 5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one?
5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one has a molecular weight of 391.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 118723195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).