4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide

C21H25FN6O — CID 24822199

IUPAC4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NC4CCC4)nn23)cc1F
InChIInChI=1S/C21H25FN6O/c1-27(2)11-10-23-21(29)16-7-6-14(12-17(16)22)18-13-24-20-9-8-19(26-28(18)20)25-15-4-3-5-15/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H,23,29)(H,25,26)
InChIKeyMLQAXPIXPRBBAO-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.79
Rot. Bonds7

About 4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide

4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide (PubChem CID 24822199) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
PubChem CID24822199
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NC4CCC4)nn23)cc1F
InChIInChI=1S/C21H25FN6O/c1-27(2)11-10-23-21(29)16-7-6-14(12-17(16)22)18-13-24-20-9-8-19(26-28(18)20)25-15-4-3-5-15/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H,23,29)(H,25,26)
InChIKeyMLQAXPIXPRBBAO-UHFFFAOYSA-N
XLogP2.79
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 24826799
CID 24826799
CID 25145656
CID 25145656
CID 10409068
CID 10409068
CID 71245288
CID 71245288
CID 46908927
CID 46908927
CID 44603362
CID 44603362
CID 11576569
CID 11576569
CID 24826880
CID 24826880
CID 25060878
CID 25060878
CID 66603863
CID 66603863
CID 5459373
CID 5459373
CID 10320144
CID 10320144

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide?
The IUPAC name of 4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide (CID 24822199) is 4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide?
The canonical SMILES for 4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide is CN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NC4CCC4)nn23)cc1F.
What is the InChIKey of 4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide?
The InChIKey is MLQAXPIXPRBBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-27(2)11-10-23-21(29)16-7-6-14(12-17(16)22)18-13-24-20-9-8-19(26-28(18)20)25-15-4-3-5-15/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H,23,29)(H,25,26).
What are the key properties of 4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide?
4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide has a molecular weight of 396.47 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 24822199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).