N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine

C24H25FN4O2S — CID 155515900

IUPACN-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)cc1F
InChIInChI=1S/C24H25FN4O2S/c1-4-28(5-2)16-19-7-6-18(14-21(19)25)22-12-13-24-26-15-23(29(24)27-22)17-8-10-20(11-9-17)32(3,30)31/h6-15H,4-5,16H2,1-3H3
InChIKeyMLLHHVGUTGFDHE-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.45
Rot. Bonds7

About N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine

N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine (PubChem CID 155515900) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine
PubChem CID155515900
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC NameN-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)cc1F
InChIInChI=1S/C24H25FN4O2S/c1-4-28(5-2)16-19-7-6-18(14-21(19)25)22-12-13-24-26-15-23(29(24)27-22)17-8-10-20(11-9-17)32(3,30)31/h6-15H,4-5,16H2,1-3H3
InChIKeyMLLHHVGUTGFDHE-UHFFFAOYSA-N
XLogP4.45
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine (CID 155515900) is N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)cc1F.
What is the InChIKey of N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine?
The InChIKey is MLLHHVGUTGFDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c1-4-28(5-2)16-19-7-6-18(14-21(19)25)22-12-13-24-26-15-23(29(24)27-22)17-8-10-20(11-9-17)32(3,30)31/h6-15H,4-5,16H2,1-3H3.
What are the key properties of N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine?
N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine has a molecular weight of 452.56 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-fluoro-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]ethanamine is sourced from PubChem (CID 155515900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).