N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide

C24H21FN4O4S — CID 66692118

IUPACN-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide
SMILESCc1cc(-c2c(Oc3cccc(F)c3)nn3ccnc3c2S(C)(=O)=O)ccc1C(=O)NC1CC1
InChIInChI=1S/C24H21FN4O4S/c1-14-12-15(6-9-19(14)23(30)27-17-7-8-17)20-21(34(2,31)32)22-26-10-11-29(22)28-24(20)33-18-5-3-4-16(25)13-18/h3-6,9-13,17H,7-8H2,1-2H3,(H,27,30)
InChIKeyZFDSCLDSBNNZMV-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.93
Rot. Bonds6

About N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide

N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide (PubChem CID 66692118) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide
PubChem CID66692118
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC NameN-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide
SMILESCc1cc(-c2c(Oc3cccc(F)c3)nn3ccnc3c2S(C)(=O)=O)ccc1C(=O)NC1CC1
InChIInChI=1S/C24H21FN4O4S/c1-14-12-15(6-9-19(14)23(30)27-17-7-8-17)20-21(34(2,31)32)22-26-10-11-29(22)28-24(20)33-18-5-3-4-16(25)13-18/h3-6,9-13,17H,7-8H2,1-2H3,(H,27,30)
InChIKeyZFDSCLDSBNNZMV-UHFFFAOYSA-N
XLogP3.93
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide 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

N-cyclopropyl-4-[8-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 118643542
N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 118643511
4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
CID 70818271
N-cyclopropyl-4-[5-(3-fluorophenoxy)-7-[2-(4-hydroxypiperidin-1-yl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 118458796
3-[4-[3-[[5-fluoro-3-[[4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)cyclohexyl]carbamoyl]-2-pyridinyl]oxy]phenyl]phenyl]propyl methanesulfonate
CID 87493195
[4-[[5-fluoro-2-[3-(4-formylphenyl)phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 87493689
N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66693927
N-cyclopropyl-4-[6-(3-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691054
3-[4-[3-[[3-[[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]carbamoyl]-5-fluoro-2-pyridinyl]oxy]phenyl]phenyl]propyl methanesulfonate
CID 87492981
N-[4-(chloroamino)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide;5-fluoro-2-(3-methylsulfanylphenoxy)-N-[4-(propanoylamino)cyclohexyl]pyridine-3-carboxamide
CID 159642889
[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591179
N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117616

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide (CID 66692118) is N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide is Cc1cc(-c2c(Oc3cccc(F)c3)nn3ccnc3c2S(C)(=O)=O)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide?
The InChIKey is ZFDSCLDSBNNZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c1-14-12-15(6-9-19(14)23(30)27-17-7-8-17)20-21(34(2,31)32)22-26-10-11-29(22)28-24(20)33-18-5-3-4-16(25)13-18/h3-6,9-13,17H,7-8H2,1-2H3,(H,27,30).
What are the key properties of N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide?
N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide has a molecular weight of 480.52 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-methylsulfonylimidazo[1,2-b]pyridazin-7-yl]-2-methylbenzamide is sourced from PubChem (CID 66692118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).