6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid

C19H16N4O4S — CID 138506091

IUPAC6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnn(CCc3ccncc3)c2)c2ccsc12
InChIInChI=1S/C19H16N4O4S/c24-16-15(19(26)27)17-14(4-8-28-17)23(18(16)25)11-13-9-21-22(10-13)7-3-12-1-5-20-6-2-12/h1-2,4-6,8-10,24H,3,7,11H2,(H,26,27)
InChIKeyPGWZZRFEKXXAEM-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.35
Rot. Bonds6

About 6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138506091) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138506091
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC Name6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnn(CCc3ccncc3)c2)c2ccsc12
InChIInChI=1S/C19H16N4O4S/c24-16-15(19(26)27)17-14(4-8-28-17)23(18(16)25)11-13-9-21-22(10-13)7-3-12-1-5-20-6-2-12/h1-2,4-6,8-10,24H,3,7,11H2,(H,26,27)
InChIKeyPGWZZRFEKXXAEM-UHFFFAOYSA-N
XLogP2.35
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid with MolForge

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Related Compounds

US11584755, Example 137
CID 138512791
US11584755, Example 18
CID 138512670
US11584755, Example 22
CID 138512680
US11584755, Example 121
CID 138512692
US11584755, Example 123
CID 138512695
US11584755, Example 122
CID 138512697
US11584755, Example 19
CID 138512740
US11584755, Example 21
CID 138512749
US11584755, Example 24
CID 138512750
US11584755, Example 27
CID 138512753
US11584755, Example 108
CID 138512770
US11584755, Example 110
CID 138512771

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid (CID 138506091) is 6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cnn(CCc3ccncc3)c2)c2ccsc12.
What is the InChIKey of 6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is PGWZZRFEKXXAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c24-16-15(19(26)27)17-14(4-8-28-17)23(18(16)25)11-13-9-21-22(10-13)7-3-12-1-5-20-6-2-12/h1-2,4-6,8-10,24H,3,7,11H2,(H,26,27).
What are the key properties of 6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 396.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-oxo-4-[[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138506091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).