N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine

C17H15ClF3N5O — CID 134807278

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine
SMILESFC(F)(F)c1cc(Nc2cnc3ccc(N4CCOCC4)nn23)ccc1Cl
InChIInChI=1S/C17H15ClF3N5O/c18-13-2-1-11(9-12(13)17(19,20)21)23-16-10-22-14-3-4-15(24-26(14)16)25-5-7-27-8-6-25/h1-4,9-10,23H,5-8H2
InChIKeyXSTUWNNOOCTJJB-UHFFFAOYSA-N
MW397.79 g/mol
LogP3.98
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine (PubChem CID 134807278) has the molecular formula C17H15ClF3N5O and a molecular weight of 397.79 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine
PubChem CID134807278
Molecular FormulaC17H15ClF3N5O
Molecular Weight397.79 g/mol
Exact Mass397.09
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine
SMILESFC(F)(F)c1cc(Nc2cnc3ccc(N4CCOCC4)nn23)ccc1Cl
InChIInChI=1S/C17H15ClF3N5O/c18-13-2-1-11(9-12(13)17(19,20)21)23-16-10-22-14-3-4-15(24-26(14)16)25-5-7-27-8-6-25/h1-4,9-10,23H,5-8H2
InChIKeyXSTUWNNOOCTJJB-UHFFFAOYSA-N
XLogP3.98
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
CID 134807009
[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276545
[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153498
N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine
CID 134808057
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 91969033
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354983
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122327846
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509700
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7416167
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 72842375
5-chloro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 170547346
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-amine
CID 146669273

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine (CID 134807278) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine is FC(F)(F)c1cc(Nc2cnc3ccc(N4CCOCC4)nn23)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine?
The InChIKey is XSTUWNNOOCTJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N5O/c18-13-2-1-11(9-12(13)17(19,20)21)23-16-10-22-14-3-4-15(24-26(14)16)25-5-7-27-8-6-25/h1-4,9-10,23H,5-8H2.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine has a molecular weight of 397.79 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 134807278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).