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

C19H16N4O5S — CID 138512894

IUPAC6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCOc1cccc(Cn2cc(Cn3c(=O)c(O)c(C(=O)O)c4sccc43)nn2)c1
InChIInChI=1S/C19H16N4O5S/c1-28-13-4-2-3-11(7-13)8-22-9-12(20-21-22)10-23-14-5-6-29-17(14)15(19(26)27)16(24)18(23)25/h2-7,9,24H,8,10H2,1H3,(H,26,27)
InChIKeyJUYLKQSNUSBVIX-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.16
Rot. Bonds6

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

6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512894) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is 6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512894
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC Name6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCOc1cccc(Cn2cc(Cn3c(=O)c(O)c(C(=O)O)c4sccc43)nn2)c1
InChIInChI=1S/C19H16N4O5S/c1-28-13-4-2-3-11(7-13)8-22-9-12(20-21-22)10-23-14-5-6-29-17(14)15(19(26)27)16(24)18(23)25/h2-7,9,24H,8,10H2,1H3,(H,26,27)
InChIKeyJUYLKQSNUSBVIX-UHFFFAOYSA-N
XLogP2.16
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid with MolForge

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Related Compounds

US11584755, Example 18
CID 138512670
US11584755, Example 25
CID 138512682
US11584755, Example 26
CID 138512838
US11584755, Example 113
CID 138512877
US11584755, Example 129
CID 138512891
US11584755, Example 126
CID 138512982
US11584755, Example 106
CID 138512989
N-[1-[4-(4-methyltriazol-1-yl)butyl]-2-oxo-4-pyridinyl]-2-thiophen-2-ylacetamide;N-[[3-(trifluoromethoxy)phenyl]methyl]formamide
CID 144993293
Ethyl 5-oxo-6-phenylmethoxy-4-[(1-phenyltriazol-4-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate
CID 138512674
5-Oxo-6-phenylmethoxy-4-[(1-phenyltriazol-4-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 138512676
Ethyl 6-hydroxy-4-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylate
CID 138512784
4-[[1-[(4-Cyano-3-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylic acid
CID 138512837

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512894) is 6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is COc1cccc(Cn2cc(Cn3c(=O)c(O)c(C(=O)O)c4sccc43)nn2)c1.
What is the InChIKey of 6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is JUYLKQSNUSBVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c1-28-13-4-2-3-11(7-13)8-22-9-12(20-21-22)10-23-14-5-6-29-17(14)15(19(26)27)16(24)18(23)25/h2-7,9,24H,8,10H2,1H3,(H,26,27).
What are the key properties of 6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 412.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).