1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

C17H15N3O2S — CID 91626691

IUPAC1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C17H15N3O2S/c21-17(15-9-12-3-1-2-4-14(12)23-15)20-8-5-13(11-20)22-16-10-18-6-7-19-16/h1-4,6-7,9-10,13H,5,8,11H2
InChIKeySHRCAZGFXLSZCO-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.98
Rot. Bonds3

About 1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 91626691) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID91626691
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C17H15N3O2S/c21-17(15-9-12-3-1-2-4-14(12)23-15)20-8-5-13(11-20)22-16-10-18-6-7-19-16/h1-4,6-7,9-10,13H,5,8,11H2
InChIKeySHRCAZGFXLSZCO-UHFFFAOYSA-N
XLogP2.98
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
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(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (CID 91626691) is 1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is O=C(c1cc2ccccc2s1)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of 1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is SHRCAZGFXLSZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-17(15-9-12-3-1-2-4-14(12)23-15)20-8-5-13(11-20)22-16-10-18-6-7-19-16/h1-4,6-7,9-10,13H,5,8,11H2.
What are the key properties of 1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 325.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 91626691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).