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

C19H17F3N2OS — CID 7194985

IUPAC(4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFC(F)(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2ccc[nH]2)cc1
InChIInChI=1S/C19H17F3N2OS/c20-19(21,22)25-15-5-3-13(4-6-15)18-16-8-11-26-17(16)7-10-24(18)12-14-2-1-9-23-14/h1-6,8-9,11,18,23H,7,10,12H2/t18-/m0/s1
InChIKeyWNQJRGNQJXBGAH-SFHVURJKSA-N
MW378.42 g/mol
LogP5.12
Rot. Bonds4

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

(4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 7194985) has the molecular formula C19H17F3N2OS and a molecular weight of 378.42 g/mol. Its IUPAC name is (4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name(4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID7194985
Molecular FormulaC19H17F3N2OS
Molecular Weight378.42 g/mol
Exact Mass378.10
IUPAC Name(4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFC(F)(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2ccc[nH]2)cc1
InChIInChI=1S/C19H17F3N2OS/c20-19(21,22)25-15-5-3-13(4-6-15)18-16-8-11-26-17(16)7-10-24(18)12-14-2-1-9-23-14/h1-6,8-9,11,18,23H,7,10,12H2/t18-/m0/s1
InChIKeyWNQJRGNQJXBGAH-SFHVURJKSA-N
XLogP5.12
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-5-(1H-pyrrol-2-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

Related Compounds

5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 2814292
(4S)-5-(1H-indol-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 28941144
(4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 21264416
5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one
CID 54518869
(4S)-5-(3-fluorophenyl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 6976148
(4S)-5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 7171198
2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51244387
(4-methoxy-3-nitrophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 59934252
methyl 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate
CID 18151850
ethyl 2-oxo-6-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46563948
methyl 5-[4-(trifluoromethoxy)phenyl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565484
1-[4-(2-chloroacetyl)piperazin-1-yl]-2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 42873398

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of (4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 7194985) is (4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for (4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for (4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is FC(F)(F)Oc1ccc([C@H]2c3ccsc3CCN2Cc2ccc[nH]2)cc1.
What is the InChIKey of (4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is WNQJRGNQJXBGAH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17F3N2OS/c20-19(21,22)25-15-5-3-13(4-6-15)18-16-8-11-26-17(16)7-10-24(18)12-14-2-1-9-23-14/h1-6,8-9,11,18,23H,7,10,12H2/t18-/m0/s1.
What are the key properties of (4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
(4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 378.42 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(1H-pyrrol-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 7194985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).