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

C20H17N3O3 — CID 102431710

IUPAC3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one
SMILESCOc1ccc(-c2nc(-c3c[nH]c4ccccc34)c[nH]c2=O)cc1OC
InChIInChI=1S/C20H17N3O3/c1-25-17-8-7-12(9-18(17)26-2)19-20(24)22-11-16(23-19)14-10-21-15-6-4-3-5-13(14)15/h3-11,21H,1-2H3,(H,22,24)
InChIKeyONVVUEVVSLVBGZ-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.60
Rot. Bonds4

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

3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one (PubChem CID 102431710) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one
PubChem CID102431710
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one
SMILESCOc1ccc(-c2nc(-c3c[nH]c4ccccc34)c[nH]c2=O)cc1OC
InChIInChI=1S/C20H17N3O3/c1-25-17-8-7-12(9-18(17)26-2)19-20(24)22-11-16(23-19)14-10-21-15-6-4-3-5-13(14)15/h3-11,21H,1-2H3,(H,22,24)
InChIKeyONVVUEVVSLVBGZ-UHFFFAOYSA-N
XLogP3.60
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one (CID 102431710) is 3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one is COc1ccc(-c2nc(-c3c[nH]c4ccccc34)c[nH]c2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one?
The InChIKey is ONVVUEVVSLVBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-17-8-7-12(9-18(17)26-2)19-20(24)22-11-16(23-19)14-10-21-15-6-4-3-5-13(14)15/h3-11,21H,1-2H3,(H,22,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one?
3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one has a molecular weight of 347.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(1H-indol-3-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 102431710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).