4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

C14H13N3O4S — CID 164820291

IUPAC4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCc1nn(C)cc1Cn1c(=O)c(O)c(C(=O)O)c2sccc21
InChIInChI=1S/C14H13N3O4S/c1-7-8(5-16(2)15-7)6-17-9-3-4-22-12(9)10(14(20)21)11(18)13(17)19/h3-5,18H,6H2,1-2H3,(H,20,21)
InChIKeyXVZIDABZTWSRGR-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.56
Rot. Bonds3

About 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 164820291) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID164820291
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCc1nn(C)cc1Cn1c(=O)c(O)c(C(=O)O)c2sccc21
InChIInChI=1S/C14H13N3O4S/c1-7-8(5-16(2)15-7)6-17-9-3-4-22-12(9)10(14(20)21)11(18)13(17)19/h3-5,18H,6H2,1-2H3,(H,20,21)
InChIKeyXVZIDABZTWSRGR-UHFFFAOYSA-N
XLogP1.56
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512980
6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512948
6-hydroxy-4-[[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512822
4-[(4-aminophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512801
6-hydroxy-5-oxo-4-[(1-phenyltriazol-4-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 138512670
CID 164984844
CID 164984844
6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 138512692
6-hydroxy-4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512982
6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 138513008
6-hydroxy-4-[(3-methylsulfonylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512693
6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512802
6-hydroxy-4-[[5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138506074

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 164820291) is 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is Cc1nn(C)cc1Cn1c(=O)c(O)c(C(=O)O)c2sccc21.
What is the InChIKey of 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is XVZIDABZTWSRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-7-8(5-16(2)15-7)6-17-9-3-4-22-12(9)10(14(20)21)11(18)13(17)19/h3-5,18H,6H2,1-2H3,(H,20,21).
What are the key properties of 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 164820291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).