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

C17H13N5O4S — CID 138512781

IUPAC6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3cncnc3)c2)c2ccsc12
InChIInChI=1S/C17H13N5O4S/c23-14-13(17(25)26)15-12(1-2-27-15)22(16(14)24)8-11-5-20-21(7-11)6-10-3-18-9-19-4-10/h1-5,7,9,23H,6,8H2,(H,25,26)
InChIKeySWTMESOTOTVASQ-UHFFFAOYSA-N
MW383.39 g/mol
LogP1.55
Rot. Bonds5

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

6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512781) has the molecular formula C17H13N5O4S and a molecular weight of 383.39 g/mol. Its IUPAC name is 6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512781
Molecular FormulaC17H13N5O4S
Molecular Weight383.39 g/mol
Exact Mass383.07
IUPAC Name6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3cncnc3)c2)c2ccsc12
InChIInChI=1S/C17H13N5O4S/c23-14-13(17(25)26)15-12(1-2-27-15)22(16(14)24)8-11-5-20-21(7-11)6-10-3-18-9-19-4-10/h1-5,7,9,23H,6,8H2,(H,25,26)
InChIKeySWTMESOTOTVASQ-UHFFFAOYSA-N
XLogP1.55
TPSA123.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid (CID 138512781) is 6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-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-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3cncnc3)c2)c2ccsc12.
What is the InChIKey of 6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is SWTMESOTOTVASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O4S/c23-14-13(17(25)26)15-12(1-2-27-15)22(16(14)24)8-11-5-20-21(7-11)6-10-3-18-9-19-4-10/h1-5,7,9,23H,6,8H2,(H,25,26).
What are the key properties of 6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 383.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-oxo-4-[[1-(pyrimidin-5-ylmethyl)pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).