1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone

C21H23N7O3 — CID 54669924

IUPAC1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C21H23N7O3/c1-14(29)26-8-10-27(11-9-26)19-20(23-7-6-22-19)31-15-12-28(13-15)21(30)18-24-16-4-2-3-5-17(16)25-18/h2-7,15H,8-13H2,1H3,(H,24,25)
InChIKeyFHAXXAGFUYIJCX-UHFFFAOYSA-N
MW421.46 g/mol
LogP0.92
Rot. Bonds4

About 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone

1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 54669924) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone
PubChem CID54669924
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC Name1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C21H23N7O3/c1-14(29)26-8-10-27(11-9-26)19-20(23-7-6-22-19)31-15-12-28(13-15)21(30)18-24-16-4-2-3-5-17(16)25-18/h2-7,15H,8-13H2,1H3,(H,24,25)
InChIKeyFHAXXAGFUYIJCX-UHFFFAOYSA-N
XLogP0.92
TPSA107.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone (CID 54669924) is 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1.
What is the InChIKey of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is FHAXXAGFUYIJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-14(29)26-8-10-27(11-9-26)19-20(23-7-6-22-19)31-15-12-28(13-15)21(30)18-24-16-4-2-3-5-17(16)25-18/h2-7,15H,8-13H2,1H3,(H,24,25).
What are the key properties of 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone?
1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 421.46 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 54669924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).