5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one

C19H24N3O2- — CID 23179270

IUPAC5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one
SMILESCCC1=C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)N1[O-]
InChIInChI=1S/C19H24N3O2/c1-4-17-16(21-19(23)18(22(17)24)9-12(2)3)10-13-11-20-15-8-6-5-7-14(13)15/h5-8,11-12,18,20H,4,9-10H2,1-3H3,(H,21,23)/q-1
InChIKeyDVSVPIZBQFKPPH-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.68
Rot. Bonds5

About 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one

5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one (PubChem CID 23179270) has the molecular formula C19H24N3O2- and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one.

Molecular Properties

Compound Name5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one
PubChem CID23179270
Molecular FormulaC19H24N3O2-
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Name5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one
SMILESCCC1=C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)N1[O-]
InChIInChI=1S/C19H24N3O2/c1-4-17-16(21-19(23)18(22(17)24)9-12(2)3)10-13-11-20-15-8-6-5-7-14(13)15/h5-8,11-12,18,20H,4,9-10H2,1-3H3,(H,21,23)/q-1
InChIKeyDVSVPIZBQFKPPH-UHFFFAOYSA-N
XLogP3.68
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1H-indol-3-ylmethyl)-5-methyl-2-(2-methylpropyl)-4-oxido-1,2-dihydropyrazin-3-one
CID 19739855
3-ethyl-1H-quinolin-4-one
CID 10374897
3-ethyl-1H-indole;methanamine
CID 142222050
3-[2-(1H-indol-3-yl)acetyl]-5-(2-methylpropyl)oxolane-2,4-dione
CID 11426973
5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-1H-pyrazin-2-one
CID 57316748
(3S,6R,9S,12R,15S,18R,21S,24R)-1,13-bis(2-aminoethyl)-3,9,15,21-tetrakis(1H-indol-3-ylmethyl)-6,12,18,24-tetrakis(2-methylpropyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 177390864
3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
CID 63600642
(3R,6S)-6-[(1R)-1-hydroxyethyl]-3-(1H-indol-3-ylmethyl)-3-methylsulfanylpiperazine-2,5-dione
CID 166630543
(4R)-N-ethyl-4-(1H-indol-3-ylmethyl)-2,2-dimethyl-5-oxo-1,3-oxazolidine-3-carboxamide
CID 102060674
(5S)-1-acetyl-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 56949628
(3S,6R,9S,12R,15S,18R,21S,24R)-3-(hydroxymethyl)-9,15,21-tris(1H-indol-3-ylmethyl)-6,12,18-trimethyl-24-(2-methylpropyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 100961527
(2S)-3-(1H-indol-3-yl)-2-[[(5S)-2,4,6-trioxo-1-propan-2-yl-1,3-diazinan-5-yl]methylideneamino]propanoic acid
CID 7556703

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one?
The IUPAC name of 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one (CID 23179270) is 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one.
What is the SMILES notation for 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one?
The canonical SMILES for 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one is CCC1=C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)N1[O-].
What is the InChIKey of 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one?
The InChIKey is DVSVPIZBQFKPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N3O2/c1-4-17-16(21-19(23)18(22(17)24)9-12(2)3)10-13-11-20-15-8-6-5-7-14(13)15/h5-8,11-12,18,20H,4,9-10H2,1-3H3,(H,21,23)/q-1.
What are the key properties of 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one?
5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one has a molecular weight of 326.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-4-oxido-1,3-dihydropyrazin-2-one is sourced from PubChem (CID 23179270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).