2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide

C22H19FN4O3 — CID 16824969

IUPAC2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1F
InChIInChI=1S/C22H19FN4O3/c1-3-30-19-7-5-4-6-15(19)22(28)25-17-12-14(8-9-16(17)23)18-13-27-20(24-18)10-11-21(26-27)29-2/h4-13H,3H2,1-2H3,(H,25,28)
InChIKeyLIDOREJBEIKBPG-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.20
Rot. Bonds6

About 2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide

2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (PubChem CID 16824969) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
PubChem CID16824969
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1F
InChIInChI=1S/C22H19FN4O3/c1-3-30-19-7-5-4-6-15(19)22(28)25-17-12-14(8-9-16(17)23)18-13-27-20(24-18)10-11-21(26-27)29-2/h4-13H,3H2,1-2H3,(H,25,28)
InChIKeyLIDOREJBEIKBPG-UHFFFAOYSA-N
XLogP4.20
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
CID 16885885
2-ethoxy-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
CID 16886024
2-chloro-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
CID 16886088
N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopentanecarboxamide
CID 16824962
N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide
CID 16885847
4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
CID 16824926
N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 16824854
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
2-(4-chlorophenoxy)-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]acetamide
CID 16886026
2-(4-chlorophenyl)-6-ethoxyimidazo[1,2-b]pyridazine
CID 10659888
N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide
CID 16885820
N-[5-[6-(2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 67983160

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide (CID 16824969) is 2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1F.
What is the InChIKey of 2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
The InChIKey is LIDOREJBEIKBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-3-30-19-7-5-4-6-15(19)22(28)25-17-12-14(8-9-16(17)23)18-13-27-20(24-18)10-11-21(26-27)29-2/h4-13H,3H2,1-2H3,(H,25,28).
What are the key properties of 2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide?
2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide has a molecular weight of 406.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 16824969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).