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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Related Compounds

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Bpr-0L075
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(4-hydroxy-3,5-dimethoxyphenyl)(6-methoxy-1H-indol-3-yl)methanone
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(1-methyl-1H-indol-5-yl)-(3,4,5-trimethoxy-phenyl)-methanone
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[3-(1H-indol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 57731074
(5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 44578660
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CID 139267728
(1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
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6-Methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1H-indole
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CID 11162707

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).