3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide

C25H21FN6O3S — CID 59370091

IUPAC3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide
SMILESCc1cc(-n2nccc2-c2nn(-c3cccc(S(=O)(=O)N(C)C)c3)ccc2=O)c2cc(F)ccc2n1
InChIInChI=1S/C25H21FN6O3S/c1-16-13-23(20-14-17(26)7-8-21(20)28-16)32-22(9-11-27-32)25-24(33)10-12-31(29-25)18-5-4-6-19(15-18)36(34,35)30(2)3/h4-15H,1-3H3
InChIKeyODMWPAOSXVJZJR-UHFFFAOYSA-N
MW504.55 g/mol
LogP3.33
Rot. Bonds5

About 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide

3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 59370091) has the molecular formula C25H21FN6O3S and a molecular weight of 504.55 g/mol. Its IUPAC name is 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID59370091
Molecular FormulaC25H21FN6O3S
Molecular Weight504.55 g/mol
Exact Mass504.14
IUPAC Name3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide
SMILESCc1cc(-n2nccc2-c2nn(-c3cccc(S(=O)(=O)N(C)C)c3)ccc2=O)c2cc(F)ccc2n1
InChIInChI=1S/C25H21FN6O3S/c1-16-13-23(20-14-17(26)7-8-21(20)28-16)32-22(9-11-27-32)25-24(33)10-12-31(29-25)18-5-4-6-19(15-18)36(34,35)30(2)3/h4-15H,1-3H3
InChIKeyODMWPAOSXVJZJR-UHFFFAOYSA-N
XLogP3.33
TPSA102.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide 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-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide (CID 59370091) is 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide is Cc1cc(-n2nccc2-c2nn(-c3cccc(S(=O)(=O)N(C)C)c3)ccc2=O)c2cc(F)ccc2n1.
What is the InChIKey of 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ODMWPAOSXVJZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O3S/c1-16-13-23(20-14-17(26)7-8-21(20)28-16)32-22(9-11-27-32)25-24(33)10-12-31(29-25)18-5-4-6-19(15-18)36(34,35)30(2)3/h4-15H,1-3H3.
What are the key properties of 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide?
3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 504.55 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 59370091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).