[2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C16H13N3O3 — CID 2577826

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C16H13N3O3/c1-10-6-18-14(8-17-10)16(21)22-9-15(20)12-7-19-13-5-3-2-4-11(12)13/h2-8,19H,9H2,1H3
InChIKeyANHSSUSMDSUCKS-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.31
Rot. Bonds4

About [2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2577826) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2577826
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C16H13N3O3/c1-10-6-18-14(8-17-10)16(21)22-9-15(20)12-7-19-13-5-3-2-4-11(12)13/h2-8,19H,9H2,1H3
InChIKeyANHSSUSMDSUCKS-UHFFFAOYSA-N
XLogP2.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2577826) is [2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cn1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is ANHSSUSMDSUCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10-6-18-14(8-17-10)16(21)22-9-15(20)12-7-19-13-5-3-2-4-11(12)13/h2-8,19H,9H2,1H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2577826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).