5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole

C19H15N3O — CID 126475199

IUPAC5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole
SMILESCOc1ccc(-c2cncc(-c3ccc4[nH]ccc4c3)n2)cc1
InChIInChI=1S/C19H15N3O/c1-23-16-5-2-13(3-6-16)18-11-20-12-19(22-18)14-4-7-17-15(10-14)8-9-21-17/h2-12,21H,1H3
InChIKeyWQGXXEPEMFAYEX-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.30
Rot. Bonds3

About 5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole

5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole (PubChem CID 126475199) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole.

Molecular Properties

Compound Name5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole
PubChem CID126475199
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole
SMILESCOc1ccc(-c2cncc(-c3ccc4[nH]ccc4c3)n2)cc1
InChIInChI=1S/C19H15N3O/c1-23-16-5-2-13(3-6-16)18-11-20-12-19(22-18)14-4-7-17-15(10-14)8-9-21-17/h2-12,21H,1H3
InChIKeyWQGXXEPEMFAYEX-UHFFFAOYSA-N
XLogP4.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole?
The IUPAC name of 5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole (CID 126475199) is 5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole.
What is the SMILES notation for 5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole?
The canonical SMILES for 5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole is COc1ccc(-c2cncc(-c3ccc4[nH]ccc4c3)n2)cc1.
What is the InChIKey of 5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole?
The InChIKey is WQGXXEPEMFAYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-23-16-5-2-13(3-6-16)18-11-20-12-19(22-18)14-4-7-17-15(10-14)8-9-21-17/h2-12,21H,1H3.
What are the key properties of 5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole?
5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole has a molecular weight of 301.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole is sourced from PubChem (CID 126475199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).