1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone

C26H22N2O3S — CID 33171683

IUPAC1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone
SMILESO=C(COc1cccc(Oc2ccccn2)c1)N1CCc2sccc2[C@H]1c1ccccc1
InChIInChI=1S/C26H22N2O3S/c29-25(18-30-20-9-6-10-21(17-20)31-24-11-4-5-14-27-24)28-15-12-23-22(13-16-32-23)26(28)19-7-2-1-3-8-19/h1-11,13-14,16-17,26H,12,15,18H2/t26-/m1/s1
InChIKeyIGZPHNAGOLYBBE-AREMUKBSSA-N
MW442.54 g/mol
LogP5.49
Rot. Bonds6

About 1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone

1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone (PubChem CID 33171683) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone
PubChem CID33171683
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC Name1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone
SMILESO=C(COc1cccc(Oc2ccccn2)c1)N1CCc2sccc2[C@H]1c1ccccc1
InChIInChI=1S/C26H22N2O3S/c29-25(18-30-20-9-6-10-21(17-20)31-24-11-4-5-14-27-24)28-15-12-23-22(13-16-32-23)26(28)19-7-2-1-3-8-19/h1-11,13-14,16-17,26H,12,15,18H2/t26-/m1/s1
InChIKeyIGZPHNAGOLYBBE-AREMUKBSSA-N
XLogP5.49
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451539
2-(4-methoxyphenoxy)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451540
4-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]benzonitrile
CID 9245848
3-cyclopropyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 157330054
4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanal
CID 87516306
2-naphthalen-2-yloxy-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074657
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
3-cyclopentyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 18093663
2-(3-bromophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 8948796
2-(3-chlorophenoxy)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 8949494
2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7495269
2-(tert-butylamino)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7283208

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone?
The IUPAC name of 1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone (CID 33171683) is 1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone.
What is the SMILES notation for 1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone?
The canonical SMILES for 1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone is O=C(COc1cccc(Oc2ccccn2)c1)N1CCc2sccc2[C@H]1c1ccccc1.
What is the InChIKey of 1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone?
The InChIKey is IGZPHNAGOLYBBE-AREMUKBSSA-N. The full InChI is InChI=1S/C26H22N2O3S/c29-25(18-30-20-9-6-10-21(17-20)31-24-11-4-5-14-27-24)28-15-12-23-22(13-16-32-23)26(28)19-7-2-1-3-8-19/h1-11,13-14,16-17,26H,12,15,18H2/t26-/m1/s1.
What are the key properties of 1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone?
1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone has a molecular weight of 442.54 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone is sourced from PubChem (CID 33171683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).