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

C24H26FN5O2S — CID 53109125

IUPACN-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccccc1N1CCN(c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C24H26FN5O2S/c1-32-21-5-3-2-4-20(21)29-12-14-30(15-13-29)22-10-11-24(28-27-22)33-17-23(31)26-16-18-6-8-19(25)9-7-18/h2-11H,12-17H2,1H3,(H,26,31)
InChIKeyBGGKRBAICKWGJN-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.36
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 53109125) has the molecular formula C24H26FN5O2S and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
PubChem CID53109125
Molecular FormulaC24H26FN5O2S
Molecular Weight467.57 g/mol
Exact Mass467.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccccc1N1CCN(c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C24H26FN5O2S/c1-32-21-5-3-2-4-20(21)29-12-14-30(15-13-29)22-10-11-24(28-27-22)33-17-23(31)26-16-18-6-8-19(25)9-7-18/h2-11H,12-17H2,1H3,(H,26,31)
InChIKeyBGGKRBAICKWGJN-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 N-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide 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)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (CID 53109125) is N-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is COc1ccccc1N1CCN(c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is BGGKRBAICKWGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2S/c1-32-21-5-3-2-4-20(21)29-12-14-30(15-13-29)22-10-11-24(28-27-22)33-17-23(31)26-16-18-6-8-19(25)9-7-18/h2-11H,12-17H2,1H3,(H,26,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
N-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide 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 N-[(4-fluorophenyl)methyl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 53109125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).