3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole

C19H16N4O — CID 91800787

IUPAC3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole
SMILESc1ccc2c(CCOc3nccnc3-c3ccncc3)c[nH]c2c1
InChIInChI=1S/C19H16N4O/c1-2-4-17-16(3-1)15(13-23-17)7-12-24-19-18(21-10-11-22-19)14-5-8-20-9-6-14/h1-6,8-11,13,23H,7,12H2
InChIKeyONWGBAYSUWDQBM-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.64
Rot. Bonds5

About 3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole

3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole (PubChem CID 91800787) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole
PubChem CID91800787
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole
SMILESc1ccc2c(CCOc3nccnc3-c3ccncc3)c[nH]c2c1
InChIInChI=1S/C19H16N4O/c1-2-4-17-16(3-1)15(13-23-17)7-12-24-19-18(21-10-11-22-19)14-5-8-20-9-6-14/h1-6,8-11,13,23H,7,12H2
InChIKeyONWGBAYSUWDQBM-UHFFFAOYSA-N
XLogP3.64
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole?
The IUPAC name of 3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole (CID 91800787) is 3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole.
What is the SMILES notation for 3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole?
The canonical SMILES for 3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole is c1ccc2c(CCOc3nccnc3-c3ccncc3)c[nH]c2c1.
What is the InChIKey of 3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole?
The InChIKey is ONWGBAYSUWDQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-4-17-16(3-1)15(13-23-17)7-12-24-19-18(21-10-11-22-19)14-5-8-20-9-6-14/h1-6,8-11,13,23H,7,12H2.
What are the key properties of 3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole?
3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole has a molecular weight of 316.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-pyridin-4-ylpyrazin-2-yl)oxyethyl]-1H-indole is sourced from PubChem (CID 91800787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).