1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone

C17H22N4O2S — CID 95283759

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone (PubChem CID 95283759) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
• PubChem CID: 95283759
• Molecular Formula: C17H22N4O2S
• Molecular Weight: 346.46 g/mol
• Exact Mass: 346.15
• IUPAC Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
• SMILES: O=C(CN1CCO[C@H](Cn2cccn2)C1)N1CCc2sccc2C1
• InChI: InChI=1S/C17H22N4O2S/c22-17(20-6-2-16-14(10-20)3-9-24-16)13-19-7-8-23-15(11-19)12-21-5-1-4-18-21/h1,3-5,9,15H,2,6-8,10-13H2/t15-/m0/s1
• InChIKey: YPQCSQGFMOGHKN-HNNXBMFYSA-N
• XLogP: 1.23
• TPSA: 50.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.46
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone?

The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone (CID 95283759) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone.

What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone?

The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone is O=C(CN1CCO[C@H](Cn2cccn2)C1)N1CCc2sccc2C1.

What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone?

The InChIKey is YPQCSQGFMOGHKN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c22-17(20-6-2-16-14(10-20)3-9-24-16)13-19-7-8-23-15(11-19)12-21-5-1-4-18-21/h1,3-5,9,15H,2,6-8,10-13H2/t15-/m0/s1.

What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone?

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone has a molecular weight of 346.46 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 95283759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).