4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine

C32H23FN2S — CID 69254644

IUPAC4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine
SMILESCc1ccc(-c2csc3c(-c4ccccc4F)cnc(-c4cccnc4Cc4ccccc4)c23)cc1
InChIInChI=1S/C32H23FN2S/c1-21-13-15-23(16-14-21)27-20-36-32-26(24-10-5-6-12-28(24)33)19-35-31(30(27)32)25-11-7-17-34-29(25)18-22-8-3-2-4-9-22/h2-17,19-20H,18H2,1H3
InChIKeyWWXUKWYTZMICDH-UHFFFAOYSA-N
MW486.62 g/mol
LogP8.73
Rot. Bonds5

About 4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine

4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine (PubChem CID 69254644) has the molecular formula C32H23FN2S and a molecular weight of 486.62 g/mol. Its IUPAC name is 4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine
PubChem CID69254644
Molecular FormulaC32H23FN2S
Molecular Weight486.62 g/mol
Exact Mass486.16
IUPAC Name4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine
SMILESCc1ccc(-c2csc3c(-c4ccccc4F)cnc(-c4cccnc4Cc4ccccc4)c23)cc1
InChIInChI=1S/C32H23FN2S/c1-21-13-15-23(16-14-21)27-20-36-32-26(24-10-5-6-12-28(24)33)19-35-31(30(27)32)25-11-7-17-34-29(25)18-22-8-3-2-4-9-22/h2-17,19-20H,18H2,1H3
InChIKeyWWXUKWYTZMICDH-UHFFFAOYSA-N
XLogP8.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine (CID 69254644) is 4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine is Cc1ccc(-c2csc3c(-c4ccccc4F)cnc(-c4cccnc4Cc4ccccc4)c23)cc1.
What is the InChIKey of 4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine?
The InChIKey is WWXUKWYTZMICDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23FN2S/c1-21-13-15-23(16-14-21)27-20-36-32-26(24-10-5-6-12-28(24)33)19-35-31(30(27)32)25-11-7-17-34-29(25)18-22-8-3-2-4-9-22/h2-17,19-20H,18H2,1H3.
What are the key properties of 4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine?
4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine has a molecular weight of 486.62 g/mol, XLogP of 8.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-3-pyridinyl)-7-(2-fluorophenyl)-3-(4-methylphenyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 69254644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).