3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine

C23H24FN5O — CID 154699459

IUPAC3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(N)COc1ccc(-c2cnc3ccc(NC(C)c4cccc(F)c4)nn23)cc1
InChIInChI=1S/C23H24FN5O/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18/h3-13,15-16H,14,25H2,1-2H3,(H,27,28)
InChIKeyHEVHTYMYEMEBPX-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.43
Rot. Bonds7

About 3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine

3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 154699459) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID154699459
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(N)COc1ccc(-c2cnc3ccc(NC(C)c4cccc(F)c4)nn23)cc1
InChIInChI=1S/C23H24FN5O/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18/h3-13,15-16H,14,25H2,1-2H3,(H,27,28)
InChIKeyHEVHTYMYEMEBPX-UHFFFAOYSA-N
XLogP4.43
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine with MolForge

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Related Compounds

Taletrectinib
CID 72202474
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
Ibrutinib N-desacryloyl impurity
CID 58223272
Methyl substituted pyrazole, 27
CID 23648674
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
AZ-Tak1
CID 71543324
Methyl substituted pyrazole, 28
CID 23648676
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine (CID 154699459) is 3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine is CC(N)COc1ccc(-c2cnc3ccc(NC(C)c4cccc(F)c4)nn23)cc1.
What is the InChIKey of 3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is HEVHTYMYEMEBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18/h3-13,15-16H,14,25H2,1-2H3,(H,27,28).
What are the key properties of 3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine?
3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 405.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminopropoxy)phenyl]-N-[1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 154699459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).