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

C19H22N2O3S — CID 75383966

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1OCCc2ccsc21)N1CCC(OCc2ccccn2)C1
InChIInChI=1S/C19H22N2O3S/c22-18(11-17-19-14(5-9-23-17)6-10-25-19)21-8-4-16(12-21)24-13-15-3-1-2-7-20-15/h1-3,6-7,10,16-17H,4-5,8-9,11-13H2
InChIKeyMUNBLYYERGLKFR-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.96
Rot. Bonds5

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

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone (PubChem CID 75383966) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone
PubChem CID75383966
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1OCCc2ccsc21)N1CCC(OCc2ccccn2)C1
InChIInChI=1S/C19H22N2O3S/c22-18(11-17-19-14(5-9-23-17)6-10-25-19)21-8-4-16(12-21)24-13-15-3-1-2-7-20-15/h1-3,6-7,10,16-17H,4-5,8-9,11-13H2
InChIKeyMUNBLYYERGLKFR-UHFFFAOYSA-N
XLogP2.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
(5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 99926778
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
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 118775788
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
2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97115501
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 91781327
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97134776
[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 96574450
N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359
2-(5-amino-3-methylpyrazol-1-yl)-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 99931641
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 91778297

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone (CID 75383966) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone is O=C(CC1OCCc2ccsc21)N1CCC(OCc2ccccn2)C1.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone?
The InChIKey is MUNBLYYERGLKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-18(11-17-19-14(5-9-23-17)6-10-25-19)21-8-4-16(12-21)24-13-15-3-1-2-7-20-15/h1-3,6-7,10,16-17H,4-5,8-9,11-13H2.
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone?
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone has a molecular weight of 358.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 75383966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).