[4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol

C24H22F3NO2S — CID 23748774

IUPAC[4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol
SMILESOCc1ccc(C2=CC(c3cccs3)N(Cc3cccc(OC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C24H22F3NO2S/c25-24(26,27)30-21-4-1-3-18(13-21)15-28-11-10-20(14-22(28)23-5-2-12-31-23)19-8-6-17(16-29)7-9-19/h1-9,12-14,22,29H,10-11,15-16H2
InChIKeyYALNSYFOTRLBKX-UHFFFAOYSA-N
MW445.51 g/mol
LogP6.17
Rot. Bonds6

About [4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol

[4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol (PubChem CID 23748774) has the molecular formula C24H22F3NO2S and a molecular weight of 445.51 g/mol. Its IUPAC name is [4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol
PubChem CID23748774
Molecular FormulaC24H22F3NO2S
Molecular Weight445.51 g/mol
Exact Mass445.13
IUPAC Name[4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol
SMILESOCc1ccc(C2=CC(c3cccs3)N(Cc3cccc(OC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C24H22F3NO2S/c25-24(26,27)30-21-4-1-3-18(13-21)15-28-11-10-20(14-22(28)23-5-2-12-31-23)19-8-6-17(16-29)7-9-19/h1-9,12-14,22,29H,10-11,15-16H2
InChIKeyYALNSYFOTRLBKX-UHFFFAOYSA-N
XLogP6.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.51
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol 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

{3-(3-Methoxybenzyl)-1-[(5-methyl-2-thienyl)methyl]piperidin-3-yl}methanol
CID 16191004
dimethyl 4-[4-(hydroxymethyl)phenyl]-2-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-2H-azocine-6,7-dicarboxylate
CID 23777638
3-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-ol
CID 23975613
1-Benzyl-4-(3-methoxy-phenyl)-4-(4-thiophen-2-yl-phenyl)-piperidine
CID 22729934
N-[(3-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 133877673
[4-[(6Z)-6-diphenoxyphosphorylimino-2-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-2,5-dihydropyridin-4-yl]phenyl]methanol
CID 24058686
2-[4-(4-Fluoro-3-methoxybenzyl)-1-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 45224090
2-[4-(4-Fluoro-3-methoxybenzyl)-1-(3-thienylmethyl)-2-piperazinyl]ethanol
CID 45233525
2-[4-[(2-Fluoro-5-methoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 126460182
3-[(S)-[(2S,5R)-4-[(2,6-difluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-thiophen-3-ylmethyl]phenol
CID 10173430
N-(thien-2-ylmethyl)-4-[bis(4-trifluoromethoxyphenyl)hydroxymethyl]piperidine
CID 19040924
1,1,1-Trifluoro-3-[(3-phenoxyphenyl)methyl-[(3-thiophen-2-ylphenyl)methyl]amino]propan-2-ol
CID 23378778

Frequently Asked Questions

What is the IUPAC name of [4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol?
The IUPAC name of [4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol (CID 23748774) is [4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol?
The canonical SMILES for [4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol is OCc1ccc(C2=CC(c3cccs3)N(Cc3cccc(OC(F)(F)F)c3)CC2)cc1.
What is the InChIKey of [4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol?
The InChIKey is YALNSYFOTRLBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO2S/c25-24(26,27)30-21-4-1-3-18(13-21)15-28-11-10-20(14-22(28)23-5-2-12-31-23)19-8-6-17(16-29)7-9-19/h1-9,12-14,22,29H,10-11,15-16H2.
What are the key properties of [4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol?
[4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol has a molecular weight of 445.51 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-thiophen-2-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]methanol is sourced from PubChem (CID 23748774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).