N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide

C19H17FN6O2S — CID 123454196

IUPACN'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide
SMILESC=C(NNS(C)(=O)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C19H17FN6O2S/c1-12(23-25-29(2,27)28)17-5-6-19-22-11-15(26(19)24-17)9-14-8-13-4-3-7-21-18(13)10-16(14)20/h3-8,10-11,23,25H,1,9H2,2H3
InChIKeyJXQXONXONWJUHS-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.03
Rot. Bonds6

About N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide

N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide (PubChem CID 123454196) has the molecular formula C19H17FN6O2S and a molecular weight of 412.45 g/mol. Its IUPAC name is N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide.

Molecular Properties

Compound NameN'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide
PubChem CID123454196
Molecular FormulaC19H17FN6O2S
Molecular Weight412.45 g/mol
Exact Mass412.11
IUPAC NameN'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide
SMILESC=C(NNS(C)(=O)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C19H17FN6O2S/c1-12(23-25-29(2,27)28)17-5-6-19-22-11-15(26(19)24-17)9-14-8-13-4-3-7-21-18(13)10-16(14)20/h3-8,10-11,23,25H,1,9H2,2H3
InChIKeyJXQXONXONWJUHS-UHFFFAOYSA-N
XLogP2.03
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]-1,3-benzoxazol-2-amine
CID 71699876
ethane;6-ethyl-7-fluoroquinoline
CID 142320503
[1-[3-[(6-fluoro-1-methylindazol-5-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]propylideneamino]urea
CID 75581039
2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 58190478
2-[1-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 75596564
2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 50991631
methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
CID 50915058
2-fluoro-N-methyl-4-[6-(quinolin-6-ylmethyl)pyrrolo[1,2-b][1,2,4]triazin-3-yl]benzamide
CID 166940190
1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-(7-fluoroquinolin-6-yl)ethanol
CID 58147542
1-[(7-fluoroquinolin-6-yl)methyl]-2-phenylhydrazine
CID 169385532
(NE)-N-[1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]ethylidene]hydroxylamine;hydrochloride
CID 136623818
7-fluoroquinoline-6-carboxylic acid
CID 77174821

Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide?
The IUPAC name of N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide (CID 123454196) is N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide.
What is the SMILES notation for N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide?
The canonical SMILES for N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide is C=C(NNS(C)(=O)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1.
What is the InChIKey of N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide?
The InChIKey is JXQXONXONWJUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2S/c1-12(23-25-29(2,27)28)17-5-6-19-22-11-15(26(19)24-17)9-14-8-13-4-3-7-21-18(13)10-16(14)20/h3-8,10-11,23,25H,1,9H2,2H3.
What are the key properties of N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide?
N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide has a molecular weight of 412.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]ethenyl]methanesulfonohydrazide is sourced from PubChem (CID 123454196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).