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

C22H17N3O3 — CID 18074960

IUPAC[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cn1
InChIInChI=1S/C22H17N3O3/c1-14-11-24-19(13-23-14)22(27)28-21(15-7-3-2-4-8-15)20(26)17-12-25-18-10-6-5-9-16(17)18/h2-13,21,25H,1H3
InChIKeyDPYPTDPLFNQVIR-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.05
Rot. Bonds5

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

[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 18074960) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate
PubChem CID18074960
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cn1
InChIInChI=1S/C22H17N3O3/c1-14-11-24-19(13-23-14)22(27)28-21(15-7-3-2-4-8-15)20(26)17-12-25-18-10-6-5-9-16(17)18/h2-13,21,25H,1H3
InChIKeyDPYPTDPLFNQVIR-UHFFFAOYSA-N
XLogP4.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate (CID 18074960) is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cn1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is DPYPTDPLFNQVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-14-11-24-19(13-23-14)22(27)28-21(15-7-3-2-4-8-15)20(26)17-12-25-18-10-6-5-9-16(17)18/h2-13,21,25H,1H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate?
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 371.40 g/mol, XLogP of 4.05, 5 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-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 18074960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).