2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole

C21H18N4 — CID 58547313

IUPAC2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole
SMILESc1ccc(-c2nccnc2C2CN(C3=Nc4ccccc4C3)C2)cc1
InChIInChI=1S/C21H18N4/c1-2-6-15(7-3-1)20-21(23-11-10-22-20)17-13-25(14-17)19-12-16-8-4-5-9-18(16)24-19/h1-11,17H,12-14H2
InChIKeyGTOWJSGACGCFGV-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.83
Rot. Bonds2

About 2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole

2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole (PubChem CID 58547313) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole.

Molecular Properties

Compound Name2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole
PubChem CID58547313
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole
SMILESc1ccc(-c2nccnc2C2CN(C3=Nc4ccccc4C3)C2)cc1
InChIInChI=1S/C21H18N4/c1-2-6-15(7-3-1)20-21(23-11-10-22-20)17-13-25(14-17)19-12-16-8-4-5-9-18(16)24-19/h1-11,17H,12-14H2
InChIKeyGTOWJSGACGCFGV-UHFFFAOYSA-N
XLogP3.83
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole?
The IUPAC name of 2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole (CID 58547313) is 2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole.
What is the SMILES notation for 2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole?
The canonical SMILES for 2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole is c1ccc(-c2nccnc2C2CN(C3=Nc4ccccc4C3)C2)cc1.
What is the InChIKey of 2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole?
The InChIKey is GTOWJSGACGCFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-2-6-15(7-3-1)20-21(23-11-10-22-20)17-13-25(14-17)19-12-16-8-4-5-9-18(16)24-19/h1-11,17H,12-14H2.
What are the key properties of 2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole?
2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole has a molecular weight of 326.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]-3H-indole is sourced from PubChem (CID 58547313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).