6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide

C20H18FN5O3S — CID 66940925

IUPAC6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C20H18FN5O3S/c1-29-17-8-6-16(7-9-17)25-30(27,28)20-13-23-19-11-10-18(24-26(19)20)22-12-14-2-4-15(21)5-3-14/h2-11,13,25H,12H2,1H3,(H,22,24)
InChIKeyZNPZTKWYZYZJAG-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.29
Rot. Bonds7

About 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide

6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide (PubChem CID 66940925) has the molecular formula C20H18FN5O3S and a molecular weight of 427.46 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide
PubChem CID66940925
Molecular FormulaC20H18FN5O3S
Molecular Weight427.46 g/mol
Exact Mass427.11
IUPAC Name6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C20H18FN5O3S/c1-29-17-8-6-16(7-9-17)25-30(27,28)20-13-23-19-11-10-18(24-26(19)20)22-12-14-2-4-15(21)5-3-14/h2-11,13,25H,12H2,1H3,(H,22,24)
InChIKeyZNPZTKWYZYZJAG-UHFFFAOYSA-N
XLogP3.29
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 66940874
3-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 20957275
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113027464
5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
CID 113012162
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027468
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 58857753
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
[2-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126475803

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide (CID 66940925) is 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide is COc1ccc(NS(=O)(=O)c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide?
The InChIKey is ZNPZTKWYZYZJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3S/c1-29-17-8-6-16(7-9-17)25-30(27,28)20-13-23-19-11-10-18(24-26(19)20)22-12-14-2-4-15(21)5-3-14/h2-11,13,25H,12H2,1H3,(H,22,24).
What are the key properties of 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide?
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide has a molecular weight of 427.46 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)imidazo[1,2-b]pyridazine-3-sulfonamide is sourced from PubChem (CID 66940925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).