3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one

C23H16FN5O3S — CID 71111420

IUPAC3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one
SMILESCS(=O)(=O)c1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccnc4c(F)cccc34)n2)c1
InChIInChI=1S/C23H16FN5O3S/c1-33(31,32)16-5-2-4-15(14-16)28-13-10-21(30)23(27-28)20-9-12-26-29(20)19-8-11-25-22-17(19)6-3-7-18(22)24/h2-14H,1H3
InChIKeyOGZSINZQYXUSCB-UHFFFAOYSA-N
MW461.48 g/mol
LogP3.18
Rot. Bonds4

About 3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one

3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one (PubChem CID 71111420) has the molecular formula C23H16FN5O3S and a molecular weight of 461.48 g/mol. Its IUPAC name is 3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one
PubChem CID71111420
Molecular FormulaC23H16FN5O3S
Molecular Weight461.48 g/mol
Exact Mass461.10
IUPAC Name3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one
SMILESCS(=O)(=O)c1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccnc4c(F)cccc34)n2)c1
InChIInChI=1S/C23H16FN5O3S/c1-33(31,32)16-5-2-4-15(14-16)28-13-10-21(30)23(27-28)20-9-12-26-29(20)19-8-11-25-22-17(19)6-3-7-18(22)24/h2-14H,1H3
InChIKeyOGZSINZQYXUSCB-UHFFFAOYSA-N
XLogP3.18
TPSA99.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-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 3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one?
The IUPAC name of 3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one (CID 71111420) is 3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one.
What is the SMILES notation for 3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one?
The canonical SMILES for 3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one is CS(=O)(=O)c1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccnc4c(F)cccc34)n2)c1.
What is the InChIKey of 3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one?
The InChIKey is OGZSINZQYXUSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O3S/c1-33(31,32)16-5-2-4-15(14-16)28-13-10-21(30)23(27-28)20-9-12-26-29(20)19-8-11-25-22-17(19)6-3-7-18(22)24/h2-14H,1H3.
What are the key properties of 3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one?
3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one has a molecular weight of 461.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(8-fluoroquinolin-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one is sourced from PubChem (CID 71111420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).