5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C23H20F3NO2S — CID 2814299

IUPAC5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFC(F)(F)Oc1ccc(C2c3ccsc3CCN2Cc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C23H20F3NO2S/c24-23(25,26)29-18-4-2-16(3-5-18)22-19-9-12-30-21(19)7-10-27(22)14-15-1-6-20-17(13-15)8-11-28-20/h1-6,9,12-13,22H,7-8,10-11,14H2
InChIKeyZJAGZDMDUITZRK-UHFFFAOYSA-N
MW431.48 g/mol
LogP5.73
Rot. Bonds4

About 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 2814299) has the molecular formula C23H20F3NO2S and a molecular weight of 431.48 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID2814299
Molecular FormulaC23H20F3NO2S
Molecular Weight431.48 g/mol
Exact Mass431.12
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFC(F)(F)Oc1ccc(C2c3ccsc3CCN2Cc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C23H20F3NO2S/c24-23(25,26)29-18-4-2-16(3-5-18)22-19-9-12-30-21(19)7-10-27(22)14-15-1-6-20-17(13-15)8-11-28-20/h1-6,9,12-13,22H,7-8,10-11,14H2
InChIKeyZJAGZDMDUITZRK-UHFFFAOYSA-N
XLogP5.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.48
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 2814299) is 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is FC(F)(F)Oc1ccc(C2c3ccsc3CCN2Cc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is ZJAGZDMDUITZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO2S/c24-23(25,26)29-18-4-2-16(3-5-18)22-19-9-12-30-21(19)7-10-27(22)14-15-1-6-20-17(13-15)8-11-28-20/h1-6,9,12-13,22H,7-8,10-11,14H2.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 431.48 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 2814299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).