2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide

C24H26FN5O2S — CID 53108968

IUPAC2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)c1
InChIInChI=1S/C24H26FN5O2S/c1-32-21-4-2-3-18(15-21)16-26-23(31)17-33-24-10-9-22(27-28-24)30-13-11-29(12-14-30)20-7-5-19(25)6-8-20/h2-10,15H,11-14,16-17H2,1H3,(H,26,31)
InChIKeyLCXPYNOXUYLIIJ-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.36
Rot. Bonds8

About 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide

2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 53108968) has the molecular formula C24H26FN5O2S and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID53108968
Molecular FormulaC24H26FN5O2S
Molecular Weight467.57 g/mol
Exact Mass467.18
IUPAC Name2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)c1
InChIInChI=1S/C24H26FN5O2S/c1-32-21-4-2-3-18(15-21)16-26-23(31)17-33-24-10-9-22(27-28-24)30-13-11-29(12-14-30)20-7-5-19(25)6-8-20/h2-10,15H,11-14,16-17H2,1H3,(H,26,31)
InChIKeyLCXPYNOXUYLIIJ-UHFFFAOYSA-N
XLogP3.36
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]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 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (CID 53108968) is 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CSc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn2)c1.
What is the InChIKey of 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is LCXPYNOXUYLIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2S/c1-32-21-4-2-3-18(15-21)16-26-23(31)17-33-24-10-9-22(27-28-24)30-13-11-29(12-14-30)20-7-5-19(25)6-8-20/h2-10,15H,11-14,16-17H2,1H3,(H,26,31).
What are the key properties of 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 467.57 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53108968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).