2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C17H21N3O2S — CID 95354822

IUPAC2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCn1cc([C@@H]2CCCN2C(=O)C[C@@H]2OCCc3ccsc32)cn1
InChIInChI=1S/C17H21N3O2S/c1-19-11-13(10-18-19)14-3-2-6-20(14)16(21)9-15-17-12(4-7-22-15)5-8-23-17/h5,8,10-11,14-15H,2-4,6-7,9H2,1H3/t14-,15-/m0/s1
InChIKeyQOWHQOKZSKHMSN-GJZGRUSLSA-N
MW331.44 g/mol
LogP2.85
Rot. Bonds3

About 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95354822) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID95354822
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCn1cc([C@@H]2CCCN2C(=O)C[C@@H]2OCCc3ccsc32)cn1
InChIInChI=1S/C17H21N3O2S/c1-19-11-13(10-18-19)14-3-2-6-20(14)16(21)9-15-17-12(4-7-22-15)5-8-23-17/h5,8,10-11,14-15H,2-4,6-7,9H2,1H3/t14-,15-/m0/s1
InChIKeyQOWHQOKZSKHMSN-GJZGRUSLSA-N
XLogP2.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95308603
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779275
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95569339
2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 95297046
1-(azepan-1-yl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanone
CID 71933570
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95569607
1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone
CID 119877965
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95348858
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 95281918
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926772
3,3-dicyclopropyl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95348351
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 95354822) is 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is Cn1cc([C@@H]2CCCN2C(=O)C[C@@H]2OCCc3ccsc32)cn1.
What is the InChIKey of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is QOWHQOKZSKHMSN-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-19-11-13(10-18-19)14-3-2-6-20(14)16(21)9-15-17-12(4-7-22-15)5-8-23-17/h5,8,10-11,14-15H,2-4,6-7,9H2,1H3/t14-,15-/m0/s1.
What are the key properties of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 331.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95354822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).