5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one

C19H23N3O — CID 57316748

IUPAC5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one
SMILESCCc1nc(CC(C)C)c(=O)[nH]c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H23N3O/c1-4-15-17(22-19(23)18(21-15)9-12(2)3)10-13-11-20-16-8-6-5-7-14(13)16/h5-8,11-12,20H,4,9-10H2,1-3H3,(H,22,23)
InChIKeyQEUMLVNLTQYPGK-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.60
Rot. Bonds5

About 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one

5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one (PubChem CID 57316748) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one
PubChem CID57316748
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one
SMILESCCc1nc(CC(C)C)c(=O)[nH]c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H23N3O/c1-4-15-17(22-19(23)18(21-15)9-12(2)3)10-13-11-20-16-8-6-5-7-14(13)16/h5-8,11-12,20H,4,9-10H2,1-3H3,(H,22,23)
InChIKeyQEUMLVNLTQYPGK-UHFFFAOYSA-N
XLogP3.60
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1H-indole-3-carbonyl)-5-methoxy-3-(2-methylpropyl)-1H-pyrazin-2-one
CID 56992924
3-ethyl-1H-indole;methanamine
CID 142222050
3-ethyl-1H-quinolin-4-one
CID 10374897
3-(2-fluoropropyl)-1H-indole
CID 142409179
4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one
CID 67282201
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2S)-1-(1H-indol-3-yl)-N-methylbutan-2-amine
CID 96657140
1-(1H-indol-3-ylmethyl)isoquinoline
CID 24973276
(2S)-2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid
CID 142164854
3-(1H-indol-3-ylmethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 86272985
N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine
CID 166038734
5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one
CID 23179270

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one?
The IUPAC name of 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one (CID 57316748) is 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one is CCc1nc(CC(C)C)c(=O)[nH]c1Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one?
The InChIKey is QEUMLVNLTQYPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-4-15-17(22-19(23)18(21-15)9-12(2)3)10-13-11-20-16-8-6-5-7-14(13)16/h5-8,11-12,20H,4,9-10H2,1-3H3,(H,22,23).
What are the key properties of 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one?
5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one is sourced from PubChem (CID 57316748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).