2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone

C22H22N2O2S — CID 97081788

IUPAC2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
SMILESO=C(C[C@@H]1OCCc2ccsc21)N1CCn2cccc2[C@H]1c1ccccc1
InChIInChI=1S/C22H22N2O2S/c25-20(15-19-22-17(8-13-26-19)9-14-27-22)24-12-11-23-10-4-7-18(23)21(24)16-5-2-1-3-6-16/h1-7,9-10,14,19,21H,8,11-13,15H2/t19-,21+/m0/s1
InChIKeyQUZJBOIBOPMWSS-PZJWPPBQSA-N
MW378.50 g/mol
LogP4.19
Rot. Bonds3

About 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone

2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone (PubChem CID 97081788) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
PubChem CID97081788
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
SMILESO=C(C[C@@H]1OCCc2ccsc21)N1CCn2cccc2[C@H]1c1ccccc1
InChIInChI=1S/C22H22N2O2S/c25-20(15-19-22-17(8-13-26-19)9-14-27-22)24-12-11-23-10-4-7-18(23)21(24)16-5-2-1-3-6-16/h1-7,9-10,14,19,21H,8,11-13,15H2/t19-,21+/m0/s1
InChIKeyQUZJBOIBOPMWSS-PZJWPPBQSA-N
XLogP4.19
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanone
CID 71933570
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
2-(ethylamino)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 42797975
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
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
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
CID 134054456
(3-aminopyrazin-2-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 71931138
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(5-phenylfuran-2-yl)propan-1-one
CID 42947726
(3R)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-1-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butan-1-one
CID 95148037
1-methyl-3-[4-oxo-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butyl]imidazolidine-2,4-dione
CID 134054478
3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one
CID 146128915
3-[2-[2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 97079103

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone?
The IUPAC name of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone (CID 97081788) is 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone.
What is the SMILES notation for 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone?
The canonical SMILES for 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone is O=C(C[C@@H]1OCCc2ccsc21)N1CCn2cccc2[C@H]1c1ccccc1.
What is the InChIKey of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone?
The InChIKey is QUZJBOIBOPMWSS-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H22N2O2S/c25-20(15-19-22-17(8-13-26-19)9-14-27-22)24-12-11-23-10-4-7-18(23)21(24)16-5-2-1-3-6-16/h1-7,9-10,14,19,21H,8,11-13,15H2/t19-,21+/m0/s1.
What are the key properties of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone?
2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone has a molecular weight of 378.50 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 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-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone is sourced from PubChem (CID 97081788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).