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

C20H15N5O4S — CID 138512818

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

6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512818) has the molecular formula C20H15N5O4S and a molecular weight of 421.44 g/mol. Its IUPAC name is 6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
• PubChem CID: 138512818
• Molecular Formula: C20H15N5O4S
• Molecular Weight: 421.44 g/mol
• Exact Mass: 421.08
• IUPAC Name: 6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
• SMILES: O=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3cnc4ccccn34)c2)c2ccsc12
• InChI: InChI=1S/C20H15N5O4S/c26-17-16(20(28)29)18-14(4-6-30-18)25(19(17)27)10-12-7-22-23(9-12)11-13-8-21-15-3-1-2-5-24(13)15/h1-9,26H,10-11H2,(H,28,29)
• InChIKey: ZMFVEOULDQNAIF-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 114.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.44
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?

The IUPAC name of 6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512818) is 6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

What is the SMILES notation for 6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?

The canonical SMILES for 6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3cnc4ccccn34)c2)c2ccsc12.

What is the InChIKey of 6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?

The InChIKey is ZMFVEOULDQNAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4S/c26-17-16(20(28)29)18-14(4-6-30-18)25(19(17)27)10-12-7-22-23(9-12)11-13-8-21-15-3-1-2-5-24(13)15/h1-9,26H,10-11H2,(H,28,29).

What are the key properties of 6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?

6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 421.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-4-[[1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).