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

C23H19N3O3 — CID 7259398

IUPAC[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESCCn1c(-c2ccccc2)c(C(=O)COC(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C23H19N3O3/c1-2-26-19-11-7-6-10-17(19)21(22(26)16-8-4-3-5-9-16)20(27)15-29-23(28)18-14-24-12-13-25-18/h3-14H,2,15H2,1H3
InChIKeyXRTWLCBBQLYCFP-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.16
Rot. Bonds6

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

[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 7259398) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID7259398
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESCCn1c(-c2ccccc2)c(C(=O)COC(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C23H19N3O3/c1-2-26-19-11-7-6-10-17(19)21(22(26)16-8-4-3-5-9-16)20(27)15-29-23(28)18-14-24-12-13-25-18/h3-14H,2,15H2,1H3
InChIKeyXRTWLCBBQLYCFP-UHFFFAOYSA-N
XLogP4.16
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate (CID 7259398) is [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate is CCn1c(-c2ccccc2)c(C(=O)COC(=O)c2cnccn2)c2ccccc21.
What is the InChIKey of [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is XRTWLCBBQLYCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-2-26-19-11-7-6-10-17(19)21(22(26)16-8-4-3-5-9-16)20(27)15-29-23(28)18-14-24-12-13-25-18/h3-14H,2,15H2,1H3.
What are the key properties of [2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 4.16, 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] pyrazine-2-carboxylate is sourced from PubChem (CID 7259398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).