5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one

C14H13N3O3S — CID 118547303

IUPAC5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccn[nH]3)csc12
InChIInChI=1S/C14H13N3O3S/c18-11-7-12(17-3-5-19-6-4-17)20-13-9(8-21-14(11)13)10-1-2-15-16-10/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyMMJAXHWWINNGPS-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.08
Rot. Bonds2

About 5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one

5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one (PubChem CID 118547303) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Name5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
PubChem CID118547303
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccn[nH]3)csc12
InChIInChI=1S/C14H13N3O3S/c18-11-7-12(17-3-5-19-6-4-17)20-13-9(8-21-14(11)13)10-1-2-15-16-10/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyMMJAXHWWINNGPS-UHFFFAOYSA-N
XLogP2.08
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one
CID 158740173
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CID 146320011
5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one
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CID 142505751
3-[3-(ethenylsulfanylamino)phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 153397307
2-chloro-2-fluoro-N-[3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]acetamide
CID 146320046
3-(1-but-2-ynoylindazol-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146320030
2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one?
The IUPAC name of 5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one (CID 118547303) is 5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one.
What is the SMILES notation for 5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one?
The canonical SMILES for 5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one is O=c1cc(N2CCOCC2)oc2c(-c3ccn[nH]3)csc12.
What is the InChIKey of 5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one?
The InChIKey is MMJAXHWWINNGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c18-11-7-12(17-3-5-19-6-4-17)20-13-9(8-21-14(11)13)10-1-2-15-16-10/h1-2,7-8H,3-6H2,(H,15,16).
What are the key properties of 5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one?
5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one has a molecular weight of 303.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one is sourced from PubChem (CID 118547303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).