6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine

C20H20F3N5 — CID 168873710

IUPAC6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1cccc(-c2cnc3ccc(N4CC5(CCNCC5)C4)nn23)c1
InChIInChI=1S/C20H20F3N5/c21-20(22,23)15-3-1-2-14(10-15)16-11-25-17-4-5-18(26-28(16)17)27-12-19(13-27)6-8-24-9-7-19/h1-5,10-11,24H,6-9,12-13H2
InChIKeyYMHKXWMFWHITPH-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.60
Rot. Bonds2

About 6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine

6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 168873710) has the molecular formula C20H20F3N5 and a molecular weight of 387.41 g/mol. Its IUPAC name is 6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
PubChem CID168873710
Molecular FormulaC20H20F3N5
Molecular Weight387.41 g/mol
Exact Mass387.17
IUPAC Name6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1cccc(-c2cnc3ccc(N4CC5(CCNCC5)C4)nn23)c1
InChIInChI=1S/C20H20F3N5/c21-20(22,23)15-3-1-2-14(10-15)16-11-25-17-4-5-18(26-28(16)17)27-12-19(13-27)6-8-24-9-7-19/h1-5,10-11,24H,6-9,12-13H2
InChIKeyYMHKXWMFWHITPH-UHFFFAOYSA-N
XLogP3.60
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 134360127
3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline
CID 155551586
N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 178034998
3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 140652262
4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine
CID 123401440
N-[1-(3-fluoropiperidin-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 178035043
trans-(1R,4R)-4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cycloheptan-1-ol
CID 163304070
N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 167228039
2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;hydrochloride
CID 137331860
tert-butyl 2-[[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-6-azaspiro[3.4]octane-6-carboxylate
CID 163304089
6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
CID 134807009
tert-butyl 4-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
CID 58857766

Frequently Asked Questions

What is the IUPAC name of 6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine (CID 168873710) is 6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine is FC(F)(F)c1cccc(-c2cnc3ccc(N4CC5(CCNCC5)C4)nn23)c1.
What is the InChIKey of 6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is YMHKXWMFWHITPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5/c21-20(22,23)15-3-1-2-14(10-15)16-11-25-17-4-5-18(26-28(16)17)27-12-19(13-27)6-8-24-9-7-19/h1-5,10-11,24H,6-9,12-13H2.
What are the key properties of 6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine?
6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 387.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 168873710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).