3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid

C13H15N3O3S — CID 22269064

IUPAC3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(N2CCOCC2)nc2sc(C(=O)O)c(N)c12
InChIInChI=1S/C13H15N3O3S/c1-7-6-8(16-2-4-19-5-3-16)15-12-9(7)10(14)11(20-12)13(17)18/h6H,2-5,14H2,1H3,(H,17,18)
InChIKeyLQHVQLRWPLJPLX-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.72
Rot. Bonds2

About 3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 22269064) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID22269064
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(N2CCOCC2)nc2sc(C(=O)O)c(N)c12
InChIInChI=1S/C13H15N3O3S/c1-7-6-8(16-2-4-19-5-3-16)15-12-9(7)10(14)11(20-12)13(17)18/h6H,2-5,14H2,1H3,(H,17,18)
InChIKeyLQHVQLRWPLJPLX-UHFFFAOYSA-N
XLogP1.72
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
3-amino-6-(4-aminopiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 22269198
3-amino-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridine-2,4-dicarboxylic acid
CID 22269207
3-amino-6-(3-hydroxypiperidin-1-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 45485737
3-amino-6-[4-[[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269344
3-amino-4,6-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997925
3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 23400850
5,13-dimethyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 53368200
3,4-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 175406117
3-amino-6-[(3S)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 23400853
3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid
CID 68518867
ethyl 2-(13-methyl-11-morpholin-4-yl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetate
CID 53370861

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid (CID 22269064) is 3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid is Cc1cc(N2CCOCC2)nc2sc(C(=O)O)c(N)c12.
What is the InChIKey of 3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is LQHVQLRWPLJPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-7-6-8(16-2-4-19-5-3-16)15-12-9(7)10(14)11(20-12)13(17)18/h6H,2-5,14H2,1H3,(H,17,18).
What are the key properties of 3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22269064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).