2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone

C18H23N3O2S — CID 71926772

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C2CCCN(C(=O)CC3OCCc4ccsc43)C2)n[nH]1
InChIInChI=1S/C18H23N3O2S/c1-12-9-15(20-19-12)14-3-2-6-21(11-14)17(22)10-16-18-13(4-7-23-16)5-8-24-18/h5,8-9,14,16H,2-4,6-7,10-11H2,1H3,(H,19,20)
InChIKeyYFQMLYGBHNNDHZ-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.19
Rot. Bonds3

About 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 71926772) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
PubChem CID71926772
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C2CCCN(C(=O)CC3OCCc4ccsc43)C2)n[nH]1
InChIInChI=1S/C18H23N3O2S/c1-12-9-15(20-19-12)14-3-2-6-21(11-14)17(22)10-16-18-13(4-7-23-16)5-8-24-18/h5,8-9,14,16H,2-4,6-7,10-11H2,1H3,(H,19,20)
InChIKeyYFQMLYGBHNNDHZ-UHFFFAOYSA-N
XLogP3.19
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97004306
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
2-cyclopent-2-en-1-yl-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926754
2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95740590
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514421
2-(3,4-dihydro-2H-chromen-4-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926734
1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 96514407
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 71926811
1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 97069115
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 71871656
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 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) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone is Cc1cc(C2CCCN(C(=O)CC3OCCc4ccsc43)C2)n[nH]1.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is YFQMLYGBHNNDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-9-15(20-19-12)14-3-2-6-21(11-14)17(22)10-16-18-13(4-7-23-16)5-8-24-18/h5,8-9,14,16H,2-4,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 345.47 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71926772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).