3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine

C20H24FN5O — CID 24850546

IUPAC3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine
SMILESCN1CCN(CCCOc2ccc3ncc(-c4cccc(F)c4)n3n2)CC1
InChIInChI=1S/C20H24FN5O/c1-24-9-11-25(12-10-24)8-3-13-27-20-7-6-19-22-15-18(26(19)23-20)16-4-2-5-17(21)14-16/h2,4-7,14-15H,3,8-13H2,1H3
InChIKeyJQBQAJBTVDUNOM-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.55
Rot. Bonds6

About 3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine

3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine (PubChem CID 24850546) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine
PubChem CID24850546
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine
SMILESCN1CCN(CCCOc2ccc3ncc(-c4cccc(F)c4)n3n2)CC1
InChIInChI=1S/C20H24FN5O/c1-24-9-11-25(12-10-24)8-3-13-27-20-7-6-19-22-15-18(26(19)23-20)16-4-2-5-17(21)14-16/h2,4-7,14-15H,3,8-13H2,1H3
InChIKeyJQBQAJBTVDUNOM-UHFFFAOYSA-N
XLogP2.55
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 68820661
3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine
CID 143597790
6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 24866991
3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 71154364
4-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 176715164
[4-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126672864
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
3-(3-fluorophenyl)-6-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine
CID 173083961
6-[2-(3-chlorophenyl)ethoxy]-3-(3-methylsulfinylphenyl)imidazo[1,2-b]pyridazine
CID 143597765
11-[2-(2-methoxyethoxy)ethyl]-8,11,14,19,21,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),3,5,15(22),16,18-heptaen-7-one
CID 136592386
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine
CID 58335544
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine (CID 24850546) is 3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine is CN1CCN(CCCOc2ccc3ncc(-c4cccc(F)c4)n3n2)CC1.
What is the InChIKey of 3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine?
The InChIKey is JQBQAJBTVDUNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-24-9-11-25(12-10-24)8-3-13-27-20-7-6-19-22-15-18(26(19)23-20)16-4-2-5-17(21)14-16/h2,4-7,14-15H,3,8-13H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine?
3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine has a molecular weight of 369.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 24850546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).