[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C24H21N3O3 — CID 24687887

IUPAC[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCn1c(-c2ccccc2)c(C(=O)COC(=O)c2cnc(C)cn2)c2ccccc21
InChIInChI=1S/C24H21N3O3/c1-3-27-20-12-8-7-11-18(20)22(23(27)17-9-5-4-6-10-17)21(28)15-30-24(29)19-14-25-16(2)13-26-19/h4-14H,3,15H2,1-2H3
InChIKeyBQCJBTUUMZHLEX-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.47
Rot. Bonds6

About [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 24687887) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID24687887
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCCn1c(-c2ccccc2)c(C(=O)COC(=O)c2cnc(C)cn2)c2ccccc21
InChIInChI=1S/C24H21N3O3/c1-3-27-20-12-8-7-11-18(20)22(23(27)17-9-5-4-6-10-17)21(28)15-30-24(29)19-14-25-16(2)13-26-19/h4-14H,3,15H2,1-2H3
InChIKeyBQCJBTUUMZHLEX-UHFFFAOYSA-N
XLogP4.47
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(1-ethyl-2-phenylindol-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-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 24687887) is [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is CCn1c(-c2ccccc2)c(C(=O)COC(=O)c2cnc(C)cn2)c2ccccc21.
What is the InChIKey of [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is BQCJBTUUMZHLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-3-27-20-12-8-7-11-18(20)22(23(27)17-9-5-4-6-10-17)21(28)15-30-24(29)19-14-25-16(2)13-26-19/h4-14H,3,15H2,1-2H3.
What are the key properties of [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 24687887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).