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

C23H30N2OS — CID 138478997

IUPAC6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESc1ccc(C2(CCN3CCc4ccsc4C3)CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C23H30N2OS/c1-4-12-24-21(5-1)22(11-15-26-23(18-22)8-2-3-9-23)10-14-25-13-6-19-7-16-27-20(19)17-25/h1,4-5,7,12,16H,2-3,6,8-11,13-15,17-18H2
InChIKeyBEXSSNLZRSUBFD-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.95
Rot. Bonds4

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

6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 138478997) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is 6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID138478997
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC Name6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESc1ccc(C2(CCN3CCc4ccsc4C3)CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C23H30N2OS/c1-4-12-24-21(5-1)22(11-15-26-23(18-22)8-2-3-9-23)10-14-25-13-6-19-7-16-27-20(19)17-25/h1,4-5,7,12,16H,2-3,6,8-11,13-15,17-18H2
InChIKeyBEXSSNLZRSUBFD-UHFFFAOYSA-N
XLogP4.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 138478997) is 6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is c1ccc(C2(CCN3CCc4ccsc4C3)CCOC3(CCCC3)C2)nc1.
What is the InChIKey of 6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is BEXSSNLZRSUBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-4-12-24-21(5-1)22(11-15-26-23(18-22)8-2-3-9-23)10-14-25-13-6-19-7-16-27-20(19)17-25/h1,4-5,7,12,16H,2-3,6,8-11,13-15,17-18H2.
What are the key properties of 6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 382.57 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 138478997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).