methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

C24H17FN4O3S — CID 82017609

About methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 82017609) has the molecular formula C24H17FN4O3S and a molecular weight of 460.49 g/mol. Its IUPAC name is methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 82017609
• Molecular Formula: C24H17FN4O3S
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.10
• IUPAC Name: methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: COC(=O)c1cn(-c2ncc(-c3ccc(F)cc3)s2)cc2c(=O)n(-c3ccccc3C)nc1-2
• InChI: InChI=1S/C24H17FN4O3S/c1-14-5-3-4-6-19(14)29-22(30)17-12-28(13-18(21(17)27-29)23(31)32-2)24-26-11-20(33-24)15-7-9-16(25)10-8-15/h3-13H,1-2H3
• InChIKey: UWJYVFXSUGNRNN-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 79.01 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

The IUPAC name of methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (CID 82017609) is methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

What is the SMILES notation for methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

The canonical SMILES for methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2ncc(-c3ccc(F)cc3)s2)cc2c(=O)n(-c3ccccc3C)nc1-2.

What is the InChIKey of methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

The InChIKey is UWJYVFXSUGNRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O3S/c1-14-5-3-4-6-19(14)29-22(30)17-12-28(13-18(21(17)27-29)23(31)32-2)24-26-11-20(33-24)15-7-9-16(25)10-8-15/h3-13H,1-2H3.

What are the key properties of methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 460.49 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 82017609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).