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

C18H14N4O4S — CID 138512692

IUPAC6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3ccncc3)c2)c2ccsc12
InChIInChI=1S/C18H14N4O4S/c23-15-14(18(25)26)16-13(3-6-27-16)22(17(15)24)10-12-7-20-21(9-12)8-11-1-4-19-5-2-11/h1-7,9,23H,8,10H2,(H,25,26)
InChIKeyZTGJRLSAQQIGHE-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.15
Rot. Bonds5

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

6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512692) has the molecular formula C18H14N4O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is 6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512692
Molecular FormulaC18H14N4O4S
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC Name6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3ccncc3)c2)c2ccsc12
InChIInChI=1S/C18H14N4O4S/c23-15-14(18(25)26)16-13(3-6-27-16)22(17(15)24)10-12-7-20-21(9-12)8-11-1-4-19-5-2-11/h1-7,9,23H,8,10H2,(H,25,26)
InChIKeyZTGJRLSAQQIGHE-UHFFFAOYSA-N
XLogP2.15
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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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-4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512982
6-hydroxy-4-[(1-methylpyrazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512980
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
4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 164820291
6-hydroxy-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512948
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
(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-hydroxy-4-[(2-isoquinolin-5-yl-1,3-thiazol-5-yl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512901
CID 164984844
CID 164984844

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid (CID 138512692) is 6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3ccncc3)c2)c2ccsc12.
What is the InChIKey of 6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is ZTGJRLSAQQIGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S/c23-15-14(18(25)26)16-13(3-6-27-16)22(17(15)24)10-12-7-20-21(9-12)8-11-1-4-19-5-2-11/h1-7,9,23H,8,10H2,(H,25,26).
What are the key properties of 6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-5-oxo-4-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 382.40 g/mol, XLogP of 2.15, 5 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-(pyridin-4-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).