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

C21H21N3OS — CID 21264471

IUPAC[4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CCc3sccc3C2c2ccncc2)cc1
InChIInChI=1S/C21H21N3OS/c1-23(2)17-5-3-16(4-6-17)21(25)24-13-9-19-18(10-14-26-19)20(24)15-7-11-22-12-8-15/h3-8,10-12,14,20H,9,13H2,1-2H3
InChIKeyLYYXZGVYRWEUGB-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.00
Rot. Bonds3

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

[4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 21264471) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID21264471
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name[4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CCc3sccc3C2c2ccncc2)cc1
InChIInChI=1S/C21H21N3OS/c1-23(2)17-5-3-16(4-6-17)21(25)24-13-9-19-18(10-14-26-19)20(24)15-7-11-22-12-8-15/h3-8,10-12,14,20H,9,13H2,1-2H3
InChIKeyLYYXZGVYRWEUGB-UHFFFAOYSA-N
XLogP4.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(4-bromophenyl)-[4-[4-(dimethylamino)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 59934278
(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
(4-fluorophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7286434
(4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7364624
1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone
CID 21264414
(4-bromophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264434
[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 6976589
(4-tert-butylphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 3877714
4-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzonitrile
CID 54043297
[4-(methylsulfanylmethyl)phenyl]-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429502
(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 21264471) is [4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is CN(C)c1ccc(C(=O)N2CCc3sccc3C2c2ccncc2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is LYYXZGVYRWEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-23(2)17-5-3-16(4-6-17)21(25)24-13-9-19-18(10-14-26-19)20(24)15-7-11-22-12-8-15/h3-8,10-12,14,20H,9,13H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
[4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 363.49 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 21264471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).