[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone

C22H18F3NO2S — CID 6976589

IUPAC[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc([C@@H]2c3ccsc3CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H18F3NO2S/c1-28-17-8-4-14(5-9-17)20-18-11-13-29-19(18)10-12-26(20)21(27)15-2-6-16(7-3-15)22(23,24)25/h2-9,11,13,20H,10,12H2,1H3/t20-/m1/s1
InChIKeyHZQPFDYSZVZWMD-HXUWFJFHSA-N
MW417.45 g/mol
LogP5.56
Rot. Bonds3

About [(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone

[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 6976589) has the molecular formula C22H18F3NO2S and a molecular weight of 417.45 g/mol. Its IUPAC name is [(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID6976589
Molecular FormulaC22H18F3NO2S
Molecular Weight417.45 g/mol
Exact Mass417.10
IUPAC Name[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc([C@@H]2c3ccsc3CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H18F3NO2S/c1-28-17-8-4-14(5-9-17)20-18-11-13-29-19(18)10-12-26(20)21(27)15-2-6-16(7-3-15)22(23,24)25/h2-9,11,13,20H,10,12H2,1H3/t20-/m1/s1
InChIKeyHZQPFDYSZVZWMD-HXUWFJFHSA-N
XLogP5.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.45
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 3877714
(4-methoxyphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 5253149
[4-(trifluoromethyl)phenyl]-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 2739402
1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone
CID 21264414
4-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzonitrile
CID 54043297
2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-[(3R)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 98637865
(4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 21264416
1-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 6925905
(7-methoxy-1-benzofuran-2-yl)-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 21264400
[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
CID 7417914
(5-tert-butylthiophen-2-yl)-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 4534724
N,4-ditert-butyl-N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 93110864

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 6976589) is [(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone is COc1ccc([C@@H]2c3ccsc3CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HZQPFDYSZVZWMD-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H18F3NO2S/c1-28-17-8-4-14(5-9-17)20-18-11-13-29-19(18)10-12-26(20)21(27)15-2-6-16(7-3-15)22(23,24)25/h2-9,11,13,20H,10,12H2,1H3/t20-/m1/s1.
What are the key properties of [(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone?
[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 417.45 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 6976589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).