N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide

C22H17FN4O3S — CID 10026023

IUPACN-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
SMILESCSc1ccc2nc(-c3ccc4c(c3)OCO4)c(CNC(=O)c3ccccc3F)n2n1
InChIInChI=1S/C22H17FN4O3S/c1-31-20-9-8-19-25-21(13-6-7-17-18(10-13)30-12-29-17)16(27(19)26-20)11-24-22(28)14-4-2-3-5-15(14)23/h2-10H,11-12H2,1H3,(H,24,28)
InChIKeyRRTBKBOVMJFZTD-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.92
Rot. Bonds5

About N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide

N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide (PubChem CID 10026023) has the molecular formula C22H17FN4O3S and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
PubChem CID10026023
Molecular FormulaC22H17FN4O3S
Molecular Weight436.47 g/mol
Exact Mass436.10
IUPAC NameN-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
SMILESCSc1ccc2nc(-c3ccc4c(c3)OCO4)c(CNC(=O)c3ccccc3F)n2n1
InChIInChI=1S/C22H17FN4O3S/c1-31-20-9-8-19-25-21(13-6-7-17-18(10-13)30-12-29-17)16(27(19)26-20)11-24-22(28)14-4-2-3-5-15(14)23/h2-10H,11-12H2,1H3,(H,24,28)
InChIKeyRRTBKBOVMJFZTD-UHFFFAOYSA-N
XLogP3.92
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide 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-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
CID 11743772
N-[[2-(1,3-benzodioxol-5-yl)-6-methoxyimidazo[1,2-b]pyridazin-3-yl]methyl]-4-nitrobenzamide
CID 10789574
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-[[2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 24753241
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 27370196
N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
CID 10320493
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 8504539
5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 46104803
2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine
CID 42738374
N-[[3-(aminomethyl)phenyl]methyl]-2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carboxamide
CID 23963571
N-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]-2-fluorobenzamide
CID 15955548
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide
CID 3540757

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide (CID 10026023) is N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide is CSc1ccc2nc(-c3ccc4c(c3)OCO4)c(CNC(=O)c3ccccc3F)n2n1.
What is the InChIKey of N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide?
The InChIKey is RRTBKBOVMJFZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3S/c1-31-20-9-8-19-25-21(13-6-7-17-18(10-13)30-12-29-17)16(27(19)26-20)11-24-22(28)14-4-2-3-5-15(14)23/h2-10H,11-12H2,1H3,(H,24,28).
What are the key properties of N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide?
N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide has a molecular weight of 436.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 10026023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).