4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine

C23H21F2NS — CID 135130176

IUPAC4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
SMILESCC(C)(C)c1ccc(C2=NCCc3sc(-c4ccc(F)cc4F)cc32)cc1
InChIInChI=1S/C23H21F2NS/c1-23(2,3)15-6-4-14(5-7-15)22-18-13-21(27-20(18)10-11-26-22)17-9-8-16(24)12-19(17)25/h4-9,12-13H,10-11H2,1-3H3
InChIKeyRORRXCSDNDEZRP-UHFFFAOYSA-N
MW381.49 g/mol
LogP6.38
Rot. Bonds2

About 4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine

4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine (PubChem CID 135130176) has the molecular formula C23H21F2NS and a molecular weight of 381.49 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
PubChem CID135130176
Molecular FormulaC23H21F2NS
Molecular Weight381.49 g/mol
Exact Mass381.14
IUPAC Name4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
SMILESCC(C)(C)c1ccc(C2=NCCc3sc(-c4ccc(F)cc4F)cc32)cc1
InChIInChI=1S/C23H21F2NS/c1-23(2,3)15-6-4-14(5-7-15)22-18-13-21(27-20(18)10-11-26-22)17-9-8-16(24)12-19(17)25/h4-9,12-13H,10-11H2,1-3H3
InChIKeyRORRXCSDNDEZRP-UHFFFAOYSA-N
XLogP6.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.49
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[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 4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine (CID 135130176) is 4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine is CC(C)(C)c1ccc(C2=NCCc3sc(-c4ccc(F)cc4F)cc32)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine?
The InChIKey is RORRXCSDNDEZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NS/c1-23(2,3)15-6-4-14(5-7-15)22-18-13-21(27-20(18)10-11-26-22)17-9-8-16(24)12-19(17)25/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine?
4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine has a molecular weight of 381.49 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)-6,7-dihydrothieno[3,2-c]pyridine is sourced from PubChem (CID 135130176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).