5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

C23H31ClN2OS — CID 174938354

About 5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 174938354) has the molecular formula C23H31ClN2OS and a molecular weight of 419.03 g/mol. Its IUPAC name is 5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

• Compound Name: 5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
• PubChem CID: 174938354
• Molecular Formula: C23H31ClN2OS
• Molecular Weight: 419.03 g/mol
• Exact Mass: 418.18
• IUPAC Name: 5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
• SMILES: Cl.c1ccc(C2(CCN3CCc4sccc4C3)CCOC3(CCCC3)C2)nc1
• InChI: InChI=1S/C23H30N2OS.ClH/c1-4-12-24-21(5-1)22(11-15-26-23(18-22)8-2-3-9-23)10-14-25-13-6-20-19(17-25)7-16-27-20;/h1,4-5,7,12,16H,2-3,6,8-11,13-15,17-18H2;1H
• InChIKey: MXOBZQALCJTZGE-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 25.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.03
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?

The IUPAC name of 5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 174938354) is 5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

What is the SMILES notation for 5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?

The canonical SMILES for 5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is Cl.c1ccc(C2(CCN3CCc4sccc4C3)CCOC3(CCCC3)C2)nc1.

What is the InChIKey of 5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?

The InChIKey is MXOBZQALCJTZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS.ClH/c1-4-12-24-21(5-1)22(11-15-26-23(18-22)8-2-3-9-23)10-14-25-13-6-20-19(17-25)7-16-27-20;/h1,4-5,7,12,16H,2-3,6,8-11,13-15,17-18H2;1H.

What are the key properties of 5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?

5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride has a molecular weight of 419.03 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 174938354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).