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

C21H24F3N5O2 — CID 24850419

IUPAC6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCN1CCN(CCCOc2ccc3ncc(-c4ccc(OC(F)(F)F)cc4)n3n2)CC1
InChIInChI=1S/C21H24F3N5O2/c1-27-10-12-28(13-11-27)9-2-14-30-20-8-7-19-25-15-18(29(19)26-20)16-3-5-17(6-4-16)31-21(22,23)24/h3-8,15H,2,9-14H2,1H3
InChIKeyFEGRAKJOVSMWMV-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.31
Rot. Bonds7

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

6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 24850419) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID24850419
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCN1CCN(CCCOc2ccc3ncc(-c4ccc(OC(F)(F)F)cc4)n3n2)CC1
InChIInChI=1S/C21H24F3N5O2/c1-27-10-12-28(13-11-27)9-2-14-30-20-8-7-19-25-15-18(29(19)26-20)16-3-5-17(6-4-16)31-21(22,23)24/h3-8,15H,2,9-14H2,1H3
InChIKeyFEGRAKJOVSMWMV-UHFFFAOYSA-N
XLogP3.31
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 24850419) is 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is CN1CCN(CCCOc2ccc3ncc(-c4ccc(OC(F)(F)F)cc4)n3n2)CC1.
What is the InChIKey of 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is FEGRAKJOVSMWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-27-10-12-28(13-11-27)9-2-14-30-20-8-7-19-25-15-18(29(19)26-20)16-3-5-17(6-4-16)31-21(22,23)24/h3-8,15H,2,9-14H2,1H3.
What are the key properties of 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 435.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 24850419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).