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

C26H25FN6O2S — CID 89307165

IUPAC3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide
SMILESC=C1C=CN(c2cccc(S(=O)(=O)N(C)C)c2)N=C1C1CC=NN1c1cc(C)nc2ccc(F)cc12
InChIInChI=1S/C26H25FN6O2S/c1-17-11-13-32(20-6-5-7-21(16-20)36(34,35)31(3)4)30-26(17)24-10-12-28-33(24)25-14-18(2)29-23-9-8-19(27)15-22(23)25/h5-9,11-16,24H,1,10H2,2-4H3
InChIKeyHFEDTPXMCSBZHL-UHFFFAOYSA-N
MW504.59 g/mol
LogP4.44
Rot. Bonds5

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

3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 89307165) has the molecular formula C26H25FN6O2S and a molecular weight of 504.59 g/mol. Its IUPAC name is 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID89307165
Molecular FormulaC26H25FN6O2S
Molecular Weight504.59 g/mol
Exact Mass504.17
IUPAC Name3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide
SMILESC=C1C=CN(c2cccc(S(=O)(=O)N(C)C)c2)N=C1C1CC=NN1c1cc(C)nc2ccc(F)cc12
InChIInChI=1S/C26H25FN6O2S/c1-17-11-13-32(20-6-5-7-21(16-20)36(34,35)31(3)4)30-26(17)24-10-12-28-33(24)25-14-18(2)29-23-9-8-19(27)15-22(23)25/h5-9,11-16,24H,1,10H2,2-4H3
InChIKeyHFEDTPXMCSBZHL-UHFFFAOYSA-N
XLogP4.44
TPSA81.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-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

Related Compounds

4-[4-(Benzenesulfonyl)-1-piperazinyl]-2-methylquinoline
CID 1164592
(E)-1-[1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
CID 71769190
N-[{1-(4-Fluorophenyl)-5-isobutyl-1H-pyrazol-3-yl}methyl]quinoline-8-sulfonamide
CID 118512804
Benzenesulfonamide, 4-methyl-N-4-quinolinyl-
CID 1380890
(E)-1-[1-(4-fluorophenyl)sulfonyl-2-methylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
CID 71770822
4-[3-(4-Fluorophenyl)-5-(6-fluoroquinolin-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 142291665
4-[5-(6-Fluoroquinolin-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide
CID 142291667
4-(3,4-difluoroanilino)-N,N-dimethyl-2-(trifluoromethyl)quinoline-7-sulfonamide
CID 168285448
4-tert-butyl-N-[1-(6-fluoroquinolin-4-yl)-2,3-dimethyl-3H-pyrazol-5-yl]benzenesulfonamide
CID 163671754
3-(benzenesulfonyl)-N,N-diethyl-6-fluoroquinolin-4-amine
CID 7184102
N-(benzenesulfonyl)-N-[(5-fluoroquinolin-8-yl)methyl]benzenesulfonamide
CID 101578640
N-(6-fluoro-2-phenylquinolin-4-yl)-4-methylbenzenesulfonamide
CID 135069338

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide (CID 89307165) is 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide is C=C1C=CN(c2cccc(S(=O)(=O)N(C)C)c2)N=C1C1CC=NN1c1cc(C)nc2ccc(F)cc12.
What is the InChIKey of 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is HFEDTPXMCSBZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2S/c1-17-11-13-32(20-6-5-7-21(16-20)36(34,35)31(3)4)30-26(17)24-10-12-28-33(24)25-14-18(2)29-23-9-8-19(27)15-22(23)25/h5-9,11-16,24H,1,10H2,2-4H3.
What are the key properties of 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide?
3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 504.59 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(6-fluoro-2-methylquinolin-4-yl)-3,4-dihydropyrazol-3-yl]-4-methylidenepyridazin-1-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 89307165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).