5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline

C21H20F2N6 — CID 50915055

IUPAC5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
SMILESCN1CCN(c2ccc3ncc(Cc4c(F)cc5ncccc5c4F)n3n2)CC1
InChIInChI=1S/C21H20F2N6/c1-27-7-9-28(10-8-27)20-5-4-19-25-13-14(29(19)26-20)11-16-17(22)12-18-15(21(16)23)3-2-6-24-18/h2-6,12-13H,7-11H2,1H3
InChIKeyAQMVKFVTKQKRCN-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.90
Rot. Bonds3

About 5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline

5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline (PubChem CID 50915055) has the molecular formula C21H20F2N6 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
PubChem CID50915055
Molecular FormulaC21H20F2N6
Molecular Weight394.43 g/mol
Exact Mass394.17
IUPAC Name5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
SMILESCN1CCN(c2ccc3ncc(Cc4c(F)cc5ncccc5c4F)n3n2)CC1
InChIInChI=1S/C21H20F2N6/c1-27-7-9-28(10-8-27)20-5-4-19-25-13-14(29(19)26-20)11-16-17(22)12-18-15(21(16)23)3-2-6-24-18/h2-6,12-13H,7-11H2,1H3
InChIKeyAQMVKFVTKQKRCN-UHFFFAOYSA-N
XLogP2.90
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?
The IUPAC name of 5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline (CID 50915055) is 5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline.
What is the SMILES notation for 5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?
The canonical SMILES for 5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline is CN1CCN(c2ccc3ncc(Cc4c(F)cc5ncccc5c4F)n3n2)CC1.
What is the InChIKey of 5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?
The InChIKey is AQMVKFVTKQKRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6/c1-27-7-9-28(10-8-27)20-5-4-19-25-13-14(29(19)26-20)11-16-17(22)12-18-15(21(16)23)3-2-6-24-18/h2-6,12-13H,7-11H2,1H3.
What are the key properties of 5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?
5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline has a molecular weight of 394.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-[[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline is sourced from PubChem (CID 50915055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).