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

C19H14N6O4S — CID 138513004

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

6-hydroxy-4-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138513004) has the molecular formula C19H14N6O4S and a molecular weight of 422.43 g/mol. Its IUPAC name is 6-hydroxy-4-[[1-(imidazo[1,2-a]pyrimidin-2-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]pyrimidin-2-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
• PubChem CID: 138513004
• Molecular Formula: C19H14N6O4S
• Molecular Weight: 422.43 g/mol
• Exact Mass: 422.08
• IUPAC Name: 6-hydroxy-4-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
• SMILES: O=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3cn4cccnc4n3)c2)c2ccsc12
• InChI: InChI=1S/C19H14N6O4S/c26-15-14(18(28)29)16-13(2-5-30-16)25(17(15)27)8-11-6-21-24(7-11)10-12-9-23-4-1-3-20-19(23)22-12/h1-7,9,26H,8,10H2,(H,28,29)
• InChIKey: CRPATSQEIMFBCJ-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 127.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.43
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[[1-(imidazo[1,2-a]pyrimidin-2-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]pyrimidin-2-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138513004) is 6-hydroxy-4-[[1-(imidazo[1,2-a]pyrimidin-2-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]pyrimidin-2-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]pyrimidin-2-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3cn4cccnc4n3)c2)c2ccsc12.

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

The InChIKey is CRPATSQEIMFBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O4S/c26-15-14(18(28)29)16-13(2-5-30-16)25(17(15)27)8-11-6-21-24(7-11)10-12-9-23-4-1-3-20-19(23)22-12/h1-7,9,26H,8,10H2,(H,28,29).

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

6-hydroxy-4-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 422.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-4-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138513004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).