[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone

C20H21N3OS — CID 96513890

IUPAC[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone
SMILESCC[C@@H]1c2ccsc2CCN1C(=O)c1cnc(C)n1-c1ccccc1
InChIInChI=1S/C20H21N3OS/c1-3-17-16-10-12-25-19(16)9-11-22(17)20(24)18-13-21-14(2)23(18)15-7-5-4-6-8-15/h4-8,10,12-13,17H,3,9,11H2,1-2H3/t17-/m1/s1
InChIKeyIAEHLLAADLGENX-QGZVFWFLSA-N
MW351.48 g/mol
LogP4.39
Rot. Bonds3

About [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone

[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone (PubChem CID 96513890) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone
PubChem CID96513890
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone
SMILESCC[C@@H]1c2ccsc2CCN1C(=O)c1cnc(C)n1-c1ccccc1
InChIInChI=1S/C20H21N3OS/c1-3-17-16-10-12-25-19(16)9-11-22(17)20(24)18-13-21-14(2)23(18)15-7-5-4-6-8-15/h4-8,10,12-13,17H,3,9,11H2,1-2H3/t17-/m1/s1
InChIKeyIAEHLLAADLGENX-QGZVFWFLSA-N
XLogP4.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 51239407
(6-chloro-3-pyridinyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47120174
(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103187222
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 71871751
2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one
CID 51925321
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 112805452
(E)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 24504498
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluoro-4-pyridinyl)methanone
CID 61293484
(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93418573
(3,5-diaminophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107490
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluorophenyl)methanone
CID 18093063

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone?
The IUPAC name of [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone (CID 96513890) is [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone?
The canonical SMILES for [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone is CC[C@@H]1c2ccsc2CCN1C(=O)c1cnc(C)n1-c1ccccc1.
What is the InChIKey of [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone?
The InChIKey is IAEHLLAADLGENX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-3-17-16-10-12-25-19(16)9-11-22(17)20(24)18-13-21-14(2)23(18)15-7-5-4-6-8-15/h4-8,10,12-13,17H,3,9,11H2,1-2H3/t17-/m1/s1.
What are the key properties of [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone?
[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone has a molecular weight of 351.48 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methyl-3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 96513890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).