7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole

C18H21N5O2 — CID 22036358

IUPAC7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole
SMILESc1cc(OCCOc2nccnc2N2CCNCC2)c2[nH]ccc2c1
InChIInChI=1S/C18H21N5O2/c1-2-14-4-5-20-16(14)15(3-1)24-12-13-25-18-17(21-6-7-22-18)23-10-8-19-9-11-23/h1-7,19-20H,8-13H2
InChIKeyRSQIBTFXOYAUMD-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.83
Rot. Bonds6

About 7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole

7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole (PubChem CID 22036358) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole.

Molecular Properties

Compound Name7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole
PubChem CID22036358
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole
SMILESc1cc(OCCOc2nccnc2N2CCNCC2)c2[nH]ccc2c1
InChIInChI=1S/C18H21N5O2/c1-2-14-4-5-20-16(14)15(3-1)24-12-13-25-18-17(21-6-7-22-18)23-10-8-19-9-11-23/h1-7,19-20H,8-13H2
InChIKeyRSQIBTFXOYAUMD-UHFFFAOYSA-N
XLogP1.83
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole?
The IUPAC name of 7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole (CID 22036358) is 7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole.
What is the SMILES notation for 7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole?
The canonical SMILES for 7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole is c1cc(OCCOc2nccnc2N2CCNCC2)c2[nH]ccc2c1.
What is the InChIKey of 7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole?
The InChIKey is RSQIBTFXOYAUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-14-4-5-20-16(14)15(3-1)24-12-13-25-18-17(21-6-7-22-18)23-10-8-19-9-11-23/h1-7,19-20H,8-13H2.
What are the key properties of 7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole?
7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole has a molecular weight of 339.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole is sourced from PubChem (CID 22036358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).