7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid

C20H22N2O5S — CID 156817543

IUPAC7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid
SMILESCOc1cc(-c2cn(C)c(=O)c3cc(C(=O)O)sc23)cc(OC)c1CN(C)C
InChIInChI=1S/C20H22N2O5S/c1-21(2)9-14-15(26-4)6-11(7-16(14)27-5)13-10-22(3)19(23)12-8-17(20(24)25)28-18(12)13/h6-8,10H,9H2,1-5H3,(H,24,25)
InChIKeyRLNCJDYNEJRQKO-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.04
Rot. Bonds6

About 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid (PubChem CID 156817543) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid
PubChem CID156817543
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid
SMILESCOc1cc(-c2cn(C)c(=O)c3cc(C(=O)O)sc23)cc(OC)c1CN(C)C
InChIInChI=1S/C20H22N2O5S/c1-21(2)9-14-15(26-4)6-11(7-16(14)27-5)13-10-22(3)19(23)12-8-17(20(24)25)28-18(12)13/h6-8,10H,9H2,1-5H3,(H,24,25)
InChIKeyRLNCJDYNEJRQKO-UHFFFAOYSA-N
XLogP3.04
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid with MolForge

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Related Compounds

7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,5-dimethylthieno[3,2-c]pyridin-4-one
CID 156817535
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-1-oxoisoquinoline-7-carboxylic acid
CID 139370779
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
N-[7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]piperidine-3-carboxamide
CID 154670970
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
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-acetyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
CID 154671666
7-butanoyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
CID 165000025
7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide
CID 154670994
2-[[7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridin-2-yl]methyl-methylamino]ethylcarbamic acid
CID 122603158

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid (CID 156817543) is 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid is COc1cc(-c2cn(C)c(=O)c3cc(C(=O)O)sc23)cc(OC)c1CN(C)C.
What is the InChIKey of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is RLNCJDYNEJRQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-21(2)9-14-15(26-4)6-11(7-16(14)27-5)13-10-22(3)19(23)12-8-17(20(24)25)28-18(12)13/h6-8,10H,9H2,1-5H3,(H,24,25).
What are the key properties of 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid?
7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 402.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 156817543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).