3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one

C23H22N2O2S — CID 140975147

IUPAC3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one
SMILESCOc1ccc(-c2sc3[nH]ccc(=O)c3c2CN(C)Cc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-25(14-16-6-4-3-5-7-16)15-19-21-20(26)12-13-24-23(21)28-22(19)17-8-10-18(27-2)11-9-17/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyBSILWFVBKRZGTL-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.90
Rot. Bonds6

About 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one

3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one (PubChem CID 140975147) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one
PubChem CID140975147
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one
SMILESCOc1ccc(-c2sc3[nH]ccc(=O)c3c2CN(C)Cc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-25(14-16-6-4-3-5-7-16)15-19-21-20(26)12-13-24-23(21)28-22(19)17-8-10-18(27-2)11-9-17/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyBSILWFVBKRZGTL-UHFFFAOYSA-N
XLogP4.90
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate
CID 11635837
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
3-[[benzyl(methyl)amino]methyl]-5-(hydroxymethyl)-2-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyridin-4-one
CID 12052601
3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-2-(4-methoxyphenyl)-5-(2-methylpropanoyl)thieno[2,3-b]pyridin-4-one;hydrochloride
CID 19365576
ethyl 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate;hydrochloride
CID 11685956
ethyl 3-[[benzyl(methyl)amino]methyl]-7-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate;hydrochloride
CID 11527300
5-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 1426435
5-[[benzyl(methyl)amino]methyl]-1-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-(3-methoxypropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 21263389
ethyl 3-[[benzyl(methyl)amino]methyl]-7-[(2-cyanophenyl)methyl]-2-(4-methoxyphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate;hydrochloride
CID 11520077
2-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methyl]-3-[[(2-methoxyphenyl)methyl-methylamino]methyl]-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 18671985
N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 143173593
1-benzyl-5-[[benzyl(methyl)amino]methyl]-3-methyl-6-phenylthieno[2,3-d]pyrimidine-2,4-dione;ethane
CID 90892373

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one (CID 140975147) is 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one is COc1ccc(-c2sc3[nH]ccc(=O)c3c2CN(C)Cc2ccccc2)cc1.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one?
The InChIKey is BSILWFVBKRZGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-25(14-16-6-4-3-5-7-16)15-19-21-20(26)12-13-24-23(21)28-22(19)17-8-10-18(27-2)11-9-17/h3-13H,14-15H2,1-2H3,(H,24,26).
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one?
3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one has a molecular weight of 390.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-2-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridin-4-one is sourced from PubChem (CID 140975147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).