3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid

C17H15FN2O2S — CID 84612867

IUPAC3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1nc2sc(C(=O)O)c(N)c2c(C)c1Cc1ccccc1F
InChIInChI=1S/C17H15FN2O2S/c1-8-11(7-10-5-3-4-6-12(10)18)9(2)20-16-13(8)14(19)15(23-16)17(21)22/h3-6H,7,19H2,1-2H3,(H,21,22)
InChIKeyIAZTVXXFHQZPLL-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.92
Rot. Bonds3

About 3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 84612867) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID84612867
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1nc2sc(C(=O)O)c(N)c2c(C)c1Cc1ccccc1F
InChIInChI=1S/C17H15FN2O2S/c1-8-11(7-10-5-3-4-6-12(10)18)9(2)20-16-13(8)14(19)15(23-16)17(21)22/h3-6H,7,19H2,1-2H3,(H,21,22)
InChIKeyIAZTVXXFHQZPLL-UHFFFAOYSA-N
XLogP3.92
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-2-benzoyl-4,6-dimethylthieno[2,3-b]pyridin-5-yl)-1-(4-bromophenyl)ethanone
CID 4265083
3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19059135
3-amino-5-chloro-N-[(2,3-difluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53382501
3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1284247
3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole
CID 161195276
2-[3-amino-2-(4-chlorobenzoyl)-4,6-dimethylthieno[2,3-b]pyridin-5-yl]-1-(4-bromophenyl)ethanone
CID 23856806
ethyl 3-acetamido-5-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 10385244
3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
CID 99989482
6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82273441
2-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82064502
(3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 5037870
2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025722

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid (CID 84612867) is 3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid is Cc1nc2sc(C(=O)O)c(N)c2c(C)c1Cc1ccccc1F.
What is the InChIKey of 3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is IAZTVXXFHQZPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-8-11(7-10-5-3-4-6-12(10)18)9(2)20-16-13(8)14(19)15(23-16)17(21)22/h3-6H,7,19H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 84612867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).