4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide

C26H19N5O4S — CID 108809362

About 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 108809362) has the molecular formula C26H19N5O4S and a molecular weight of 497.54 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide
• PubChem CID: 108809362
• Molecular Formula: C26H19N5O4S
• Molecular Weight: 497.54 g/mol
• Exact Mass: 497.12
• IUPAC Name: 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide
• SMILES: COc1ccccc1-n1nc(C(=O)Nc2cccc(-c3csc(-c4ccccn4)n3)c2)c(O)cc1=O
• InChI: InChI=1S/C26H19N5O4S/c1-35-22-11-3-2-10-20(22)31-23(33)14-21(32)24(30-31)25(34)28-17-8-6-7-16(13-17)19-15-36-26(29-19)18-9-4-5-12-27-18/h2-15,32H,1H3,(H,28,34)
• InChIKey: XYRFHYHVJRYGOX-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 119.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.54
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide?

The IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide (CID 108809362) is 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide.

What is the SMILES notation for 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide?

The canonical SMILES for 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide is COc1ccccc1-n1nc(C(=O)Nc2cccc(-c3csc(-c4ccccn4)n3)c2)c(O)cc1=O.

What is the InChIKey of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide?

The InChIKey is XYRFHYHVJRYGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O4S/c1-35-22-11-3-2-10-20(22)31-23(33)14-21(32)24(30-31)25(34)28-17-8-6-7-16(13-17)19-15-36-26(29-19)18-9-4-5-12-27-18/h2-15,32H,1H3,(H,28,34).

What are the key properties of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide?

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 497.54 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 108809362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).