[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C19H23N3O3S — CID 90637462

IUPAC[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCOc1cncc(OC2CCN(C(=O)C3(c4cccs4)CCCC3)C2)n1
InChIInChI=1S/C19H23N3O3S/c1-24-16-11-20-12-17(21-16)25-14-6-9-22(13-14)18(23)19(7-2-3-8-19)15-5-4-10-26-15/h4-5,10-12,14H,2-3,6-9,13H2,1H3
InChIKeyMKPMLVRYTAMYTP-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.04
Rot. Bonds5

About [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 90637462) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID90637462
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCOc1cncc(OC2CCN(C(=O)C3(c4cccs4)CCCC3)C2)n1
InChIInChI=1S/C19H23N3O3S/c1-24-16-11-20-12-17(21-16)25-14-6-9-22(13-14)18(23)19(7-2-3-8-19)15-5-4-10-26-15/h4-5,10-12,14H,2-3,6-9,13H2,1H3
InChIKeyMKPMLVRYTAMYTP-UHFFFAOYSA-N
XLogP3.04
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 90637462) is [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is COc1cncc(OC2CCN(C(=O)C3(c4cccs4)CCCC3)C2)n1.
What is the InChIKey of [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is MKPMLVRYTAMYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-24-16-11-20-12-17(21-16)25-14-6-9-22(13-14)18(23)19(7-2-3-8-19)15-5-4-10-26-15/h4-5,10-12,14H,2-3,6-9,13H2,1H3.
What are the key properties of [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 373.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 90637462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).