2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide

C24H18F2N6O — CID 118538786

IUPAC2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccccc4F)cn3n2)n1C
InChIInChI=1S/C24H18F2N6O/c1-14-27-22(15-7-9-16(25)10-8-15)23(31(14)2)19-11-12-21-28-20(13-32(21)30-19)29-24(33)17-5-3-4-6-18(17)26/h3-13H,1-2H3,(H,29,33)
InChIKeyPQIZAYSRRBCXGU-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.64
Rot. Bonds4

About 2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide

2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (PubChem CID 118538786) has the molecular formula C24H18F2N6O and a molecular weight of 444.45 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
PubChem CID118538786
Molecular FormulaC24H18F2N6O
Molecular Weight444.45 g/mol
Exact Mass444.15
IUPAC Name2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccccc4F)cn3n2)n1C
InChIInChI=1S/C24H18F2N6O/c1-14-27-22(15-7-9-16(25)10-8-15)23(31(14)2)19-11-12-21-28-20(13-32(21)30-19)29-24(33)17-5-3-4-6-18(17)26/h3-13H,1-2H3,(H,29,33)
InChIKeyPQIZAYSRRBCXGU-UHFFFAOYSA-N
XLogP4.64
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (CID 118538786) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccccc4F)cn3n2)n1C.
What is the InChIKey of 2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The InChIKey is PQIZAYSRRBCXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O/c1-14-27-22(15-7-9-16(25)10-8-15)23(31(14)2)19-11-12-21-28-20(13-32(21)30-19)29-24(33)17-5-3-4-6-18(17)26/h3-13H,1-2H3,(H,29,33).
What are the key properties of 2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide has a molecular weight of 444.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is sourced from PubChem (CID 118538786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).