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

C20H17F3N2OS — CID 2813871

IUPAC5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFC(F)(F)Oc1ccc(C2c3ccsc3CCN2Cc2ccccn2)cc1
InChIInChI=1S/C20H17F3N2OS/c21-20(22,23)26-16-6-4-14(5-7-16)19-17-9-12-27-18(17)8-11-25(19)13-15-3-1-2-10-24-15/h1-7,9-10,12,19H,8,11,13H2
InChIKeyANSDVXNZZFSGFO-UHFFFAOYSA-N
MW390.43 g/mol
LogP5.19
Rot. Bonds4

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

5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 2813871) has the molecular formula C20H17F3N2OS and a molecular weight of 390.43 g/mol. Its IUPAC name is 5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID2813871
Molecular FormulaC20H17F3N2OS
Molecular Weight390.43 g/mol
Exact Mass390.10
IUPAC Name5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFC(F)(F)Oc1ccc(C2c3ccsc3CCN2Cc2ccccn2)cc1
InChIInChI=1S/C20H17F3N2OS/c21-20(22,23)26-16-6-4-14(5-7-16)19-17-9-12-27-18(17)8-11-25(19)13-15-3-1-2-10-24-15/h1-7,9-10,12,19H,8,11,13H2
InChIKeyANSDVXNZZFSGFO-UHFFFAOYSA-N
XLogP5.19
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 2813871) is 5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is FC(F)(F)Oc1ccc(C2c3ccsc3CCN2Cc2ccccn2)cc1.
What is the InChIKey of 5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is ANSDVXNZZFSGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2OS/c21-20(22,23)26-16-6-4-14(5-7-16)19-17-9-12-27-18(17)8-11-25(19)13-15-3-1-2-10-24-15/h1-7,9-10,12,19H,8,11,13H2.
What are the key properties of 5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 390.43 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 2813871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).