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

C13H11N3O4S — CID 138512980

IUPAC6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCn1cc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)cn1
InChIInChI=1S/C13H11N3O4S/c1-15-5-7(4-14-15)6-16-8-2-3-21-11(8)9(13(19)20)10(17)12(16)18/h2-5,17H,6H2,1H3,(H,19,20)
InChIKeyASZAUMXMDHAJCU-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.25
Rot. Bonds3

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

6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512980) has the molecular formula C13H11N3O4S and a molecular weight of 305.31 g/mol. Its IUPAC name is 6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512980
Molecular FormulaC13H11N3O4S
Molecular Weight305.31 g/mol
Exact Mass305.05
IUPAC Name6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCn1cc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)cn1
InChIInChI=1S/C13H11N3O4S/c1-15-5-7(4-14-15)6-16-8-2-3-21-11(8)9(13(19)20)10(17)12(16)18/h2-5,17H,6H2,1H3,(H,19,20)
InChIKeyASZAUMXMDHAJCU-UHFFFAOYSA-N
XLogP1.25
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydroxy-4-[[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512822
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
4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 164820291
4-[(4-aminophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512801
6-hydroxy-5-oxo-4-[(6-phenyl-3-pyridinyl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 138513008
6-hydroxy-5-oxo-4-[(1-phenyltriazol-4-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 138512670
6-hydroxy-4-[(3-methylsulfonylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512693
CID 164984844
CID 164984844
6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512802
(3R)-1-chloropyrrolidin-3-ol;2-[4-[(7-ethoxycarbonyl-6-hydroxy-5-oxothieno[3,2-b]pyridin-4-yl)methyl]pyrazol-1-yl]acetic acid;ethyl 6-hydroxy-4-[[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylate
CID 165049093
6-butoxy-5-oxo-4-[(1-phenyltriazol-4-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;6-hydroxy-5-oxo-4-[(1-phenyltriazol-4-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 165048823

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512980) is 6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is Cn1cc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)cn1.
What is the InChIKey of 6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is ASZAUMXMDHAJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c1-15-5-7(4-14-15)6-16-8-2-3-21-11(8)9(13(19)20)10(17)12(16)18/h2-5,17H,6H2,1H3,(H,19,20).
What are the key properties of 6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).