4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

C19H16FN3O3S — CID 11863869

About 4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 11863869) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
• PubChem CID: 11863869
• Molecular Formula: C19H16FN3O3S
• Molecular Weight: 385.42 g/mol
• Exact Mass: 385.09
• IUPAC Name: 4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
• SMILES: COc1ccc(-n2nc3c(c2NC(=O)c2ccc(F)cc2)C[S@](=O)C3)cc1
• InChI: InChI=1S/C19H16FN3O3S/c1-26-15-8-6-14(7-9-15)23-18(16-10-27(25)11-17(16)22-23)21-19(24)12-2-4-13(20)5-3-12/h2-9H,10-11H2,1H3,(H,21,24)/t27-/m0/s1
• InChIKey: FAMDCWJJYORLRG-MHZLTWQESA-N
• XLogP: 3.03
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.42
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?

The IUPAC name of 4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CID 11863869) is 4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

What is the SMILES notation for 4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?

The canonical SMILES for 4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is COc1ccc(-n2nc3c(c2NC(=O)c2ccc(F)cc2)C[S@](=O)C3)cc1.

What is the InChIKey of 4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?

The InChIKey is FAMDCWJJYORLRG-MHZLTWQESA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-26-15-8-6-14(7-9-15)23-18(16-10-27(25)11-17(16)22-23)21-19(24)12-2-4-13(20)5-3-12/h2-9H,10-11H2,1H3,(H,21,24)/t27-/m0/s1.

What are the key properties of 4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?

4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 385.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 11863869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).