4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one

C22H28F2N4O4S — CID 53321004

IUPAC4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one
SMILESCC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2OC2CCC(F)C2)CC1
InChIInChI=1S/C22H28F2N4O4S/c1-15(2)33(30,31)27-10-8-26(9-11-27)20-14-25-28(18-5-3-4-16(23)12-18)22(29)21(20)32-19-7-6-17(24)13-19/h3-5,12,14-15,17,19H,6-11,13H2,1-2H3
InChIKeyIIYRCYKWLXYHME-UHFFFAOYSA-N
MW482.55 g/mol
LogP2.50
Rot. Bonds6

About 4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one

4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one (PubChem CID 53321004) has the molecular formula C22H28F2N4O4S and a molecular weight of 482.55 g/mol. Its IUPAC name is 4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one
PubChem CID53321004
Molecular FormulaC22H28F2N4O4S
Molecular Weight482.55 g/mol
Exact Mass482.18
IUPAC Name4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one
SMILESCC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2OC2CCC(F)C2)CC1
InChIInChI=1S/C22H28F2N4O4S/c1-15(2)33(30,31)27-10-8-26(9-11-27)20-14-25-28(18-5-3-4-16(23)12-18)22(29)21(20)32-19-7-6-17(24)13-19/h3-5,12,14-15,17,19H,6-11,13H2,1-2H3
InChIKeyIIYRCYKWLXYHME-UHFFFAOYSA-N
XLogP2.50
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one 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 4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one (CID 53321004) is 4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one is CC(C)S(=O)(=O)N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2OC2CCC(F)C2)CC1.
What is the InChIKey of 4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is IIYRCYKWLXYHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N4O4S/c1-15(2)33(30,31)27-10-8-26(9-11-27)20-14-25-28(18-5-3-4-16(23)12-18)22(29)21(20)32-19-7-6-17(24)13-19/h3-5,12,14-15,17,19H,6-11,13H2,1-2H3.
What are the key properties of 4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one?
4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 482.55 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorocyclopentyl)oxy-2-(3-fluorophenyl)-5-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 53321004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).