3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine

C20H27FN6O — CID 143597790

IUPAC3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine
SMILESCC1CC(c2cnc3ccc(OCCCN4CCN(C)CC4)nn23)=CN=C1F
InChIInChI=1S/C20H27FN6O/c1-15-12-16(13-23-20(15)21)17-14-22-18-4-5-19(24-27(17)18)28-11-3-6-26-9-7-25(2)8-10-26/h4-5,13-15H,3,6-12H2,1-2H3
InChIKeyKFOCKWMVUQSTNK-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.49
Rot. Bonds6

About 3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine

3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine (PubChem CID 143597790) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine
PubChem CID143597790
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC Name3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine
SMILESCC1CC(c2cnc3ccc(OCCCN4CCN(C)CC4)nn23)=CN=C1F
InChIInChI=1S/C20H27FN6O/c1-15-12-16(13-23-20(15)21)17-14-22-18-4-5-19(24-27(17)18)28-11-3-6-26-9-7-25(2)8-10-26/h4-5,13-15H,3,6-12H2,1-2H3
InChIKeyKFOCKWMVUQSTNK-UHFFFAOYSA-N
XLogP2.49
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine
CID 24850546
6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 68820661
6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 24866991
4-[2-[6-(3-morpholin-4-ylpropoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]aniline
CID 129051500
4-[(3S)-3-methylpiperazin-1-yl]-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
CID 78324492
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol
CID 142390979
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
4-(2-methylmorpholin-4-yl)-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
CID 123369102
3-[4-[(3S)-3-methylpiperazin-1-yl]-1-benzofuran-2-yl]-6-(3-methylsulfinylpropoxy)imidazo[1,2-b]pyridazine
CID 90368885
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine (CID 143597790) is 3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine is CC1CC(c2cnc3ccc(OCCCN4CCN(C)CC4)nn23)=CN=C1F.
What is the InChIKey of 3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine?
The InChIKey is KFOCKWMVUQSTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O/c1-15-12-16(13-23-20(15)21)17-14-22-18-4-5-19(24-27(17)18)28-11-3-6-26-9-7-25(2)8-10-26/h4-5,13-15H,3,6-12H2,1-2H3.
What are the key properties of 3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine?
3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine has a molecular weight of 386.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methyl-3,4-dihydropyridin-5-yl)-6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 143597790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).