4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C21H22N2OS — CID 16676298

IUPAC4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1Cc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C21H22N2OS/c1-16-20-9-12-25-21(20)8-11-23(16)14-17-5-4-7-19(13-17)24-15-18-6-2-3-10-22-18/h2-7,9-10,12-13,16H,8,11,14-15H2,1H3
InChIKeyZBUWOMBQAVWIHY-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.84
Rot. Bonds5

About 4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 16676298) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID16676298
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1Cc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C21H22N2OS/c1-16-20-9-12-25-21(20)8-11-23(16)14-17-5-4-7-19(13-17)24-15-18-6-2-3-10-22-18/h2-7,9-10,12-13,16H,8,11,14-15H2,1H3
InChIKeyZBUWOMBQAVWIHY-UHFFFAOYSA-N
XLogP4.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 16676298) is 4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC1c2ccsc2CCN1Cc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is ZBUWOMBQAVWIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-16-20-9-12-25-21(20)8-11-23(16)14-17-5-4-7-19(13-17)24-15-18-6-2-3-10-22-18/h2-7,9-10,12-13,16H,8,11,14-15H2,1H3.
What are the key properties of 4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 350.49 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 16676298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).