N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide

C24H20FN3O3S — CID 71698623

IUPACN-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
SMILESCOc1cccc(Cc2cc(-c3cccs3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C24H20FN3O3S/c1-31-20-5-2-4-16(13-20)12-17-14-21(22-6-3-11-32-22)27-28(24(17)30)15-23(29)26-19-9-7-18(25)8-10-19/h2-11,13-14H,12,15H2,1H3,(H,26,29)
InChIKeySQNPGQUQGQNXHK-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.35
Rot. Bonds7

About N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide (PubChem CID 71698623) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
PubChem CID71698623
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC NameN-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
SMILESCOc1cccc(Cc2cc(-c3cccs3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C24H20FN3O3S/c1-31-20-5-2-4-16(13-20)12-17-14-21(22-6-3-11-32-22)27-28(24(17)30)15-23(29)26-19-9-7-18(25)8-10-19/h2-11,13-14H,12,15H2,1H3,(H,26,29)
InChIKeySQNPGQUQGQNXHK-UHFFFAOYSA-N
XLogP4.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide (CID 71698623) is N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide is COc1cccc(Cc2cc(-c3cccs3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?
The InChIKey is SQNPGQUQGQNXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c1-31-20-5-2-4-16(13-20)12-17-14-21(22-6-3-11-32-22)27-28(24(17)30)15-23(29)26-19-9-7-18(25)8-10-19/h2-11,13-14H,12,15H2,1H3,(H,26,29).
What are the key properties of N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide has a molecular weight of 449.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 71698623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).