N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine

C20H21F4N5 — CID 178034998

IUPACN-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(Nc1ccc2ncc(-c3cccc(C(F)(F)F)c3)n2n1)C1(F)CCN(C)C1
InChIInChI=1S/C20H21F4N5/c1-13(19(21)8-9-28(2)12-19)26-17-6-7-18-25-11-16(29(18)27-17)14-4-3-5-15(10-14)20(22,23)24/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,26,27)
InChIKeyAEIGOKRJYXUDGV-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.26
Rot. Bonds4

About N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine

N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 178034998) has the molecular formula C20H21F4N5 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID178034998
Molecular FormulaC20H21F4N5
Molecular Weight407.42 g/mol
Exact Mass407.17
IUPAC NameN-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(Nc1ccc2ncc(-c3cccc(C(F)(F)F)c3)n2n1)C1(F)CCN(C)C1
InChIInChI=1S/C20H21F4N5/c1-13(19(21)8-9-28(2)12-19)26-17-6-7-18-25-11-16(29(18)27-17)14-4-3-5-15(10-14)20(22,23)24/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,26,27)
InChIKeyAEIGOKRJYXUDGV-UHFFFAOYSA-N
XLogP4.26
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 134360127
N-[1-(3-fluoropiperidin-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 178035043
6-(2,7-diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 168873710
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
2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;hydrochloride
CID 137331860
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
3-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]aniline
CID 155551586
3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 140652262
2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 130348419
N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 25025645
3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 126471896

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 178034998) is N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine is CC(Nc1ccc2ncc(-c3cccc(C(F)(F)F)c3)n2n1)C1(F)CCN(C)C1.
What is the InChIKey of N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is AEIGOKRJYXUDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N5/c1-13(19(21)8-9-28(2)12-19)26-17-6-7-18-25-11-16(29(18)27-17)14-4-3-5-15(10-14)20(22,23)24/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,26,27).
What are the key properties of N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 407.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-1-methylpyrrolidin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 178034998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).