4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

C16H10BrN3O4S — CID 138512800

IUPAC4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnc3c(Br)cccn23)c2ccsc12
InChIInChI=1S/C16H10BrN3O4S/c17-9-2-1-4-19-8(6-18-14(9)19)7-20-10-3-5-25-13(10)11(16(23)24)12(21)15(20)22/h1-6,21H,7H2,(H,23,24)
InChIKeyFFAUKYJMYQKVAJ-UHFFFAOYSA-N
MW420.24 g/mol
LogP2.93
Rot. Bonds3

About 4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512800) has the molecular formula C16H10BrN3O4S and a molecular weight of 420.24 g/mol. Its IUPAC name is 4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512800
Molecular FormulaC16H10BrN3O4S
Molecular Weight420.24 g/mol
Exact Mass418.96
IUPAC Name4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnc3c(Br)cccn23)c2ccsc12
InChIInChI=1S/C16H10BrN3O4S/c17-9-2-1-4-19-8(6-18-14(9)19)7-20-10-3-5-25-13(10)11(16(23)24)12(21)15(20)22/h1-6,21H,7H2,(H,23,24)
InChIKeyFFAUKYJMYQKVAJ-UHFFFAOYSA-N
XLogP2.93
TPSA96.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.24
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512800) is 4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cnc3c(Br)cccn23)c2ccsc12.
What is the InChIKey of 4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is FFAUKYJMYQKVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O4S/c17-9-2-1-4-19-8(6-18-14(9)19)7-20-10-3-5-25-13(10)11(16(23)24)12(21)15(20)22/h1-6,21H,7H2,(H,23,24).
What are the key properties of 4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 420.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).