7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one

C20H24N2O3S — CID 156817535

IUPAC7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cc(C)sc23)cc(OC)c1CN(C)C
InChIInChI=1S/C20H24N2O3S/c1-12-7-14-19(26-12)15(11-22(4)20(14)23)13-8-17(24-5)16(10-21(2)3)18(9-13)25-6/h7-9,11H,10H2,1-6H3
InChIKeyTYSXABJTMBGWTJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.65
Rot. Bonds5

About 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one (PubChem CID 156817535) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one
PubChem CID156817535
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cc(C)sc23)cc(OC)c1CN(C)C
InChIInChI=1S/C20H24N2O3S/c1-12-7-14-19(26-12)15(11-22(4)20(14)23)13-8-17(24-5)16(10-21(2)3)18(9-13)25-6/h7-9,11H,10H2,1-6H3
InChIKeyTYSXABJTMBGWTJ-UHFFFAOYSA-N
XLogP3.65
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid
CID 156817543
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;ethane
CID 176971634
6-amino-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154670272
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-1-oxoisoquinoline-7-carboxylic acid
CID 139370779
N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide
CID 154670970
7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-N-[3-fluoro-1-(5-hydroxypentyl)piperidin-4-yl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
CID 154671139
N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxamide
CID 154670885
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-6-(pyrazol-1-ylmethyl)isoquinolin-1-one
CID 134258755
2-[[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl-methylamino]ethylcarbamic acid
CID 122603158
7-acetyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
CID 154671666
1,4-dimethylpiperidine;ethane;2-[[4-(2-formamido-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)-2,6-dimethoxyphenyl]methyl-methylamino]acetic acid
CID 154671349
7-butanoyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
CID 165000025

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one (CID 156817535) is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one is COc1cc(-c2cn(C)c(=O)c3cc(C)sc23)cc(OC)c1CN(C)C.
What is the InChIKey of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one?
The InChIKey is TYSXABJTMBGWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-12-7-14-19(26-12)15(11-22(4)20(14)23)13-8-17(24-5)16(10-21(2)3)18(9-13)25-6/h7-9,11H,10H2,1-6H3.
What are the key properties of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one?
7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one has a molecular weight of 372.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 156817535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).